Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2599196

Cl.NCCCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.71

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 2)

geneUniProtsupporting neighboursconfidence
NTRK1 known ✓ P04629 19/20 0.71
JAK2 known ✓ O60674 16/20 0.71

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
SCHEMBL2599208 0.99 NTRK1 (0.72) NTRK1JAK2
SCHEMBL2599206 0.99 NTRK1 (0.72) NTRK1JAK2
SCHEMBL22198099 0.89 NTRK1 (0.66) NTRK1JAK2
SCHEMBL20624723 0.89 NTRK1 (0.66) NTRK1JAK2
SCHEMBL4105521 0.88 NTRK1 (0.87) NTRK1JAK2
SCHEMBL933657 0.87 NTRK1 (0.81) NTRK1JAK2
SCHEMBL933659 0.87 NTRK1 (0.81) NTRK1JAK2
SCHEMBL20106459 0.87 NTRK1 (0.69) NTRK1JAK2
SCHEMBL21243824 0.87 NTRK1 (0.69) NTRK1JAK2
SCHEMBL22198107 0.87 NTRK1 (0.69) NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 US disclosed
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-05-12 US disclosed
EP-3521291-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2019-08-07 EP disclosed
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-01-31 US disclosed
EP-3205654-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-01-02 EP disclosed
US-9840519-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-12-12 US disclosed
US-9750744-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-09-05 US disclosed
EP-3205654-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2017-08-16 EP disclosed
US-9718822-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-08-01 US disclosed
EP-2918588-B1 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC (US) 2017-05-03 EP disclosed
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-20 US disclosed
US-9493476-B2 Macrocyclic compounds as trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2016-11-15 US disclosed
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-11-26 US disclosed
EP-2918588-A1 Macrocyclic compounds as TRK kinase inhibitors Array Biopharma, Inc. (US) 2015-09-16 EP disclosed
US-8933084-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
EP-2571883-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-01-07 EP disclosed
US-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-08-08 US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 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 (7 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-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 27/4885JAK2 100/4885
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 23/4885JAK2 104/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 NTRK1 27/4885JAK2 100/4885
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885

“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.