Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2139091

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1ccccc1.Cl

nearest known ligand 0.67

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
EGFR known ✓ P00533 9/20 0.67
KDR known ✓ P35968 13/20 0.66
FLT1 known ✓ P17948 9/20 0.66
FGFR1 known ✓ P11362 5/20 0.65
FLT4 known ✓ P35916 4/20 0.65
RET known ✓ P07949 2/20 0.62
HDAC3 known ✓ O15379 2/20 0.57
HDAC4 known ✓ P56524 2/20 0.57
HDAC1 known ✓ Q13547 2/20 0.57
HDAC7 known ✓ Q8WUI4 2/20 0.57
HDAC2 known ✓ Q92769 2/20 0.57
HDAC10 known ✓ Q969S8 2/20 0.57
HDAC11 known ✓ Q96DB2 2/20 0.57
HDAC8 known ✓ Q9BY41 2/20 0.57
HDAC6 known ✓ Q9UBN7 2/20 0.57
HDAC9 known ✓ Q9UKV0 2/20 0.57
HDAC5 known ✓ Q9UQL6 2/20 0.57
LCK known ✓ P06239 2/20 0.56
KIF5B P33176 2/20 0.62
EPHB2 P29323 1/20 0.61

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 SCHEMBL1468204 0.90 KDR (0.78) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7870586 0.90 KDR (0.78) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL1467888 0.89 FLT1 (0.82) EGFRKDRFLT1FGFR1FLT4
SCHEMBL159652 0.89 KDR (0.80) EGFRKDRFLT1FGFR1FLT4
SCHEMBL7866068 0.89 KDR (0.80) EGFRKDRFLT1FGFR1FLT4
SCHEMBL18979021 0.88 FLT1 (0.84) EGFRKDRFLT1FGFR1FLT4
SCHEMBL19220773 0.88 KDR (0.66) EGFRKDRFLT1FGFR1FLT4
SCHEMBL19220770 0.86 KDR (0.63) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7867718 0.86 KDR (0.78) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7454416 0.86 KDR (0.78) EGFRKDRFLT1FGFR1FLT4

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 17 patents. 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
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
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2011-03-17 US disclosed
EP-1676845-B1 New quinazoline derivatives ASTRAZENECA AB (SE) 2008-06-11 EP disclosed
US-20070265286-A1 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB 2007-11-15 US disclosed
US-7173038-B1 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2007-02-06 US disclosed
EP-1676845-A1 New quinazoline derivatives AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1244647-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2006-06-21 EP disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 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 (9 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 EGFR 199/4885KDR 3/4885FLT1 2/4885
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 207/4885KDR 3/4885FLT1 1/4885
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS FLT1, FLT4, KDR EGFR 183/4885KDR 3/4885FLT1 1/4885
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR EGFR 179/4885KDR 3/4885FLT1 1/4885
US-20070265286-A1 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR EGFR 183/4885KDR 3/4885FLT1 1/4885
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 181/4885KDR 3/4885FLT1 1/4885
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR EGFR 120/4885KDR 3/4885FLT1 2/4885
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 181/4885KDR 3/4885FLT1 1/4885
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 179/4885KDR 3/4885FLT1 1/4885

“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.