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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3513458

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c([N+](=O)[O-])c2)CC1.Cl

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK known ✓ Q9UM73 18/20 0.76
▸ NTRK1 known ✓ P04629 5/20 0.74
▸ PRKCG known ✓ P05129 2/20 0.74
▸ NTRK3 known ✓ Q16288 2/20 0.74
▸ JAK2 known ✓ O60674 1/20 0.70
▸ ABL1 known ✓ P00519 1/20 0.70
▸ LCK known ✓ P06239 1/20 0.70
▸ CSF1R known ✓ P07333 1/20 0.70
▸ RET known ✓ P07949 1/20 0.70
▸ MET known ✓ P08581 1/20 0.70
▸ KIT known ✓ P10721 1/20 0.70
▸ FGFR1 known ✓ P11362 1/20 0.70
▸ SRC known ✓ P12931 1/20 0.70
▸ FLT1 known ✓ P17948 1/20 0.70
▸ FGFR3 known ✓ P22607 1/20 0.70
▸ JAK1 known ✓ P23458 1/20 0.70
▸ FLT4 known ✓ P35916 1/20 0.70
▸ KDR known ✓ P35968 1/20 0.70
▸ FLT3 known ✓ P36888 1/20 0.70
▸ PRKCQ known ✓ Q04759 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3511728 0.99 ALK (0.78) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3510263 0.93 ALK (0.72) ALKINSRIGF1RNTRK1PLK4
SCHEMBL31391639 0.90 ALK (0.64) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3511629 0.88 ALK (0.85) ALKINSRIGF1RNTRK1PLK4
Hydrochloric Acid SCHEMBL3511834 0.88 ALK (0.98) ALKINSRIGF1RNTRK1PLK4
SCHEMBL1335074 0.87 ALK (0.61) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3511890 0.87 ALK (0.64) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3513178 0.87 ALK (1.00) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3510976 0.86 ALK (0.58) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3513173 0.86 ALK (0.84) ALKINSRIGF1RNTRK1PLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 — — US disclosed
US-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-12-03 — — US disclosed
US-20190241546-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-08-08 — — US disclosed
US-10081622-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-09-25 — — US disclosed
US-20170158677-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-08 — — US disclosed
US-9616059-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-04-11 — — US disclosed
EP-2176231-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-10-19 — — EP disclosed
US-20160095856-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-04-07 — — US disclosed
US-9255087-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-02-09 — — US disclosed
US-9102662-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-11 — — US disclosed
US-20150065520-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-05 — — US disclosed
US-20150057291-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-26 — — US disclosed
US-20150057292-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-26 — — US disclosed
US-20140228351-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-14 — — US disclosed
US-8673893-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-03-18 — — US disclosed
US-20130018036-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 — — US disclosed
US-8299057-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-30 — — US disclosed
US-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-18 — — US disclosed
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 — — EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10081622-B2 Substituted indazole derivatives active as kinase inhibitors MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 ALK 401/4885NTRK1 1510/4885PRKCG 228/4885
US-20160095856-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20190241546-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20130018036-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 ALK 401/4885NTRK1 1510/4885PRKCG 228/4885
US-20150065520-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20150057292-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20140228351-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20150057291-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885
US-20170158677-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885NTRK1 1467/4885PRKCG 320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.