Hydrochloric Acid

Hydrochloric Acid

SCHEMBL907194

COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1O.Cl

nearest known ligand 0.62

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 8)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 18/20 0.62
ERBB2 known ✓ P04626 10/20 0.62
FLT1 known ✓ P17948 6/20 0.60
RET known ✓ P07949 5/20 0.60
EGFR known ✓ P00533 3/20 0.58
EPHA2 P29317 13/20 0.62
EPHB4 P54760 11/20 0.62
KIF5B P33176 5/20 0.60

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
SCHEMBL12898759 0.99 KDR (0.63) KDREPHA2EPHB4ERBB2FLT1
Trifluoroacetic Acid SCHEMBL907480 0.92 KDR (0.57) KDREPHA2EPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL907165 0.90 EGFR (0.67) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL6018368 0.89 EGFR (0.68) KDREPHA2EPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL28257165 0.85 EGFR (0.69) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL14843536 0.84 EGFR (0.70) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL30459542 0.84 EGFR (0.70) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL17179538 0.84 EGFR (0.70) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL29453257 0.84 EGFR (0.70) KDREPHA2EPHB4ERBB2FLT1
Trifluoroacetic Acid SCHEMBL907135 0.84 KDR (0.55) KDREPHA2EPHB4ERBB2FLT1

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 18 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
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 EP 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
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 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.