Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1468204

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1.Cl

nearest known ligand 0.78

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
KDR known ✓ P35968 17/20 0.78
EGFR known ✓ P00533 13/20 0.78
RET known ✓ P07949 2/20 0.78
FLT1 known ✓ P17948 15/20 0.66
FGFR1 known ✓ P11362 11/20 0.65
FLT4 known ✓ P35916 10/20 0.65
PDGFRB known ✓ P09619 3/20 0.65
FGFR3 known ✓ P22607 2/20 0.64
ROCK2 known ✓ O75116 1/20 0.64
ABL1 known ✓ P00519 1/20 0.64
ERBB2 known ✓ P04626 1/20 0.64
LCK known ✓ P06239 1/20 0.64
CSF1R known ✓ P07333 1/20 0.64
CHRM2 known ✓ P08172 1/20 0.64
MET known ✓ P08581 1/20 0.64
ADRA2A known ✓ P08913 1/20 0.64
KIT known ✓ P10721 1/20 0.64
CHRM1 known ✓ P11229 1/20 0.64
BCR known ✓ P11274 1/20 0.64
SRC known ✓ P12931 1/20 0.64

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
SCHEMBL159652 0.99 KDR (0.80) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL1782686 0.93 KDR (0.68) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL2139091 0.90 EGFR (0.67) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7864775 0.90 KDR (0.98) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL1467888 0.89 FLT1 (0.82) KDREGFRFLT1FGFR1FLT4
SCHEMBL5864525 0.89 KDR (1.00) KDREGFRRETKIF5BFLT1
SCHEMBL18979021 0.88 FLT1 (0.84) KDREGFRFLT1FGFR1FLT4
SCHEMBL2137462 0.88 EGFR (0.64) KDREGFRRETKIF5BFLT1
SCHEMBL17520323 0.88 KDR (0.74) KDREGFRRETKIF5BFLT1
SCHEMBL19006858 0.87 KDR (0.87) KDREGFRRETKIF5BFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2021-09-09 US disclosed
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2020-08-20 US disclosed
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors GENZYME CORPORATION (US) 2019-10-29 US disclosed
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2019-01-03 US disclosed
US-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2018-04-12 US disclosed
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2016-05-12 US disclosed
US-9040548-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2015-05-26 US disclosed
CN-102503898-B Chemical process for preparing quinazoline derivatives ASTRAZENECA SWEDEN AB 2015-03-25 CN disclosed
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2014-05-01 US disclosed
US-8642608-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2014-02-04 US disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0885198-B1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 US disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP disclosed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 WO disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR KDR 3/4885EGFR 199/4885RET 503/4885
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 207/4885RET 624/4885
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 179/4885RET 509/4885
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 181/4885RET 446/4885
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR KDR 3/4885EGFR 120/4885RET 583/4885
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 181/4885RET 446/4885
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 179/4885RET 509/4885

“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.