Hydrochloric Acid

Hydrochloric Acid

SCHEMBL906859

COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2OC.Cl

nearest known ligand 0.98

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
KDR known ✓ P35968 20/20 0.98
ERBB2 known ✓ P04626 19/20 0.98
FLT1 known ✓ P17948 5/20 0.98
EGFR known ✓ P00533 1/20 0.98
EPHA2 P29317 20/20 0.98
EPHB4 P54760 20/20 0.98

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 SCHEMBL906860 1.00 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1791469 0.99 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1791467 0.99 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906675 0.99 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906644 0.99 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906674 0.99 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL13590379 0.92 ERBB2 (0.87) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL12942155 0.92 ERBB2 (0.87) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL14148381 0.92 ERBB2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1793449 0.92 ERBB2 (1.00) EPHA2KDREPHB4ERBB2FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof SYMPHONY EVOLUTION, INC. (US) 2019-04-23 US disclosed
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US disclosed
US-9796704-B2 Substituted quinazolines as receptor-type kinase inhibitors SYMPHONY EVOLUTION, INC. (US) 2017-10-24 US disclosed
US-9359332-B2 Processes for the preparation of substituted quinazolines SYMPHONY EVOLUTION, INC. (US) 2016-06-07 US disclosed
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2016-05-12 US disclosed
US-9163006-B2 2015-10-20 US disclosed
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2014-06-05 US disclosed
US-8658654-B2 Receptor-type kinase modulators and methods of use SYMPHONY EVOLUTION, INC. (US) 2014-02-25 US disclosed
EP-2277867-B1 Compounds, pharmaceutical compositions thereof and their use in treating cancer SYMPHONY EVOLUTION INC (US) 2012-12-05 EP disclosed
EP-2280003-A2 Process for preparing receptor-type kinase modulators Symphony Evolution, Inc. (US) 2011-02-02 EP disclosed
EP-2277867-A2 Compounds, pharmaceutical compositions thereof and their use in treating cancer Symphony Evolution, Inc. (US) 2011-01-26 EP disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US disclosed
EP-1521747-A4 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2006-10-11 EP disclosed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 US disclosed
EP-1521747-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-04-13 EP disclosed
WO-2004006846-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-01-22 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 (6 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-20060069077-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 KDR 17/4885ERBB2 5/4885FLT1 22/4885
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof EGFR, ERBB4, ERBB3 KDR 16/4885ERBB2 6/4885FLT1 25/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 KDR 17/4885ERBB2 5/4885FLT1 22/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 KDR 17/4885ERBB2 5/4885FLT1 22/4885
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 KDR 17/4885ERBB2 5/4885FLT1 22/4885
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 KDR 17/4885ERBB2 5/4885FLT1 22/4885

“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.