Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1401374

COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC.Cl

nearest known ligand 0.97

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 6)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 19/20 0.97
PDGFRA known ✓ P16234 19/20 0.97
EGFR known ✓ P00533 1/20 0.97
LCK known ✓ P06239 1/20 0.97
INSR P06213 1/20 0.97
PDE10A Q9Y233 1/20 0.46

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
Hydrochloric Acid SCHEMBL7872629 1.00 PDGFRB (0.97) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3393843 0.99 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL842647 0.99 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL842648 0.99 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL6896444 0.97 PDGFRB (0.97) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL6896442 0.97 PDGFRB (0.97) PDGFRBPDGFRAEGFRINSRLCK
Sulfuric Acid SCHEMBL3886006 0.93 PDGFRB (0.88) PDGFRBPDGFRAEGFRINSRLCK
Sulfuric Acid SCHEMBL2788130 0.93 PDGFRB (0.88) PDGFRBPDGFRAEGFRINSRLCK
Sulfuric Acid SCHEMBL3047526 0.93 PDGFRB (0.88) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL8133287 0.93 PDGFRB (0.88) PDGFRBPDGFRAEGFRINSRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001945-B1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2011-03-02 EP disclosed
EP-1001946-B1 QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2010-12-29 EP disclosed
EP-1687642-B1 Screening methods for combinations of biological compounds CENTELION (FR) 2009-01-14 EP disclosed
US-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
US-6852712-B2 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. (US) 2005-02-08 US disclosed
US-6821962-B2 CONTROLLING CELL DIFFERENTIATION; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2004-11-23 US disclosed
US-6696434-B2 CONTROLLING CELL DIFFERENTIATION, CELL PROLIFERATION AVENTIS PHARMACEUTICALS INC. 2004-02-24 US disclosed
US-20030139399-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. 2003-07-24 US disclosed
US-20030139400-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and /or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-07-24 US disclosed
US-20030130285-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. 2003-07-10 US disclosed
US-6528526-B1 Inhibition of cell proliferation and/or cell matrix production and/or cell movement (chemotaxis) and/or T cell activation and proliferation AVENTIS PHARMACEUTICALS INC. 2003-03-04 US disclosed
US-6482834-B2 ANTIPROLIFERATION AGENTS; ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-19 US disclosed
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-09-20 US disclosed
US-6245760-B1 ANTICANCER AGENTS; ANTIINFLAMMATORYA GENTS; SKIN DISORDERS AVENTIS PHARMACEUTICALS PRODUCTS, INC 2001-06-12 US disclosed
US-6180632-B1 USE OF THESE COMPOUNDS FOR TREATING DISORDERS/CONDITIONS INVOLVING CELLULAR DIFFERENTIATION, PROLIFERATION, EXTRACELLULAR MATRIX PRODUCTION OR MEDIATOR RELEASE AND/OR T CELL ACTIVATION AND PROLIFERATION AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US 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 (5 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-20030139400-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and /or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885
US-20030130285-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885
US-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors MCL1, ABL1, TIE1 PDGFRB 13/4885PDGFRA 10/4885EGFR 116/4885
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885
US-20030139399-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885

“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.