Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20581014

COc1cc2c(cc1OCCCN1CCCC1)[nH]c1ccnc(OC)c12.Cl

nearest known ligand 0.56

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
▸ ABL1 known ✓ P00519 1/20 0.48
▸ EGFR known ✓ P00533 1/20 0.48
▸ ERBB2 known ✓ P04626 1/20 0.48
▸ LCK known ✓ P06239 1/20 0.48
▸ CSF1R known ✓ P07333 1/20 0.48
▸ RET known ✓ P07949 1/20 0.48
▸ MET known ✓ P08581 1/20 0.48
▸ PDGFRB known ✓ P09619 1/20 0.48
▸ KIT known ✓ P10721 1/20 0.48
▸ BCR known ✓ P11274 1/20 0.48
▸ FGFR1 known ✓ P11362 1/20 0.48
▸ SRC known ✓ P12931 1/20 0.48
▸ PDGFRA known ✓ P16234 1/20 0.48
▸ FLT1 known ✓ P17948 1/20 0.48
▸ FGFR3 known ✓ P22607 1/20 0.48
▸ FLT4 known ✓ P35916 1/20 0.48
▸ KDR known ✓ P35968 1/20 0.48
▸ FLT3 known ✓ P36888 1/20 0.48
▸ ACVR1 known ✓ Q04771 1/20 0.48
▸ ERBB4 known ✓ Q15303 1/20 0.48

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
SCHEMBL23784361 0.99 EHMT2 (0.57) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL23784401 0.91 EHMT2 (0.53) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL23784369 0.90 EHMT2 (0.52) EHMT2EHMT1PLK4GAKEPHB6
Hydrochloric Acid SCHEMBL20580851 0.90 EHMT2 (0.56) EHMT2EHMT1PLK4GAKEPHB6
Hydrochloric Acid SCHEMBL20580725 0.89 EHMT2 (0.55) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL20580881 0.89 EHMT2 (0.57) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL23784375 0.88 EHMT2 (0.56) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL20581187 0.88 EHMT2 (0.56) EHMT2EHMT1PLK4GAKEPHB6
SCHEMBL26173281 0.88 EHMT2 (0.61) EHMT2EHMT1SPIN1
Hydrochloric Acid SCHEMBL20581216 0.88 EHMT2 (0.52) EHMT2EHMT1PLK4GAKEPHB6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 — — EP disclosed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 — — US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 — — US disclosed
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 — — CN disclosed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 — — US disclosed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 — — 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 (3 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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 ABL1 794/4885EGFR 4876/4885ERBB2 4764/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ABL1 794/4885EGFR 4876/4885ERBB2 4764/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ABL1 794/4885EGFR 4876/4885ERBB2 4764/4885

“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.

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