Hydrochloric Acid

Hydrochloric Acid

SCHEMBL935691

Cc1ccc(Nc2nccc(NCc3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl.O

nearest known ligand 0.76

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 11/20 0.62
▸ KIT known ✓ P10721 7/20 0.62
▸ PDGFRA known ✓ P16234 7/20 0.62
▸ CSF1R known ✓ P07333 4/20 0.62
▸ FLT1 known ✓ P17948 3/20 0.62
▸ FLT4 known ✓ P35916 3/20 0.62
▸ JAK2 known ✓ O60674 1/20 0.62
▸ ABL1 known ✓ P00519 1/20 0.62
▸ CA2 known ✓ P00918 1/20 0.62
▸ LCK known ✓ P06239 1/20 0.62
▸ RET known ✓ P07949 1/20 0.62
▸ MET known ✓ P08581 1/20 0.62
▸ PDGFRB known ✓ P09619 1/20 0.62
▸ FGFR1 known ✓ P11362 1/20 0.62
▸ SRC known ✓ P12931 1/20 0.62
▸ ACHE known ✓ P22303 1/20 0.62
▸ FGFR3 known ✓ P22607 1/20 0.62
▸ FLT3 known ✓ P36888 1/20 0.62
▸ ALK known ✓ Q9UM73 1/20 0.62
▸ HDAC1 known ✓ Q13547 3/20 0.47

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 SCHEMBL159486 0.99 BTK (0.77) BTKKDRKITPDGFRACSF1R
SCHEMBL724300 0.98 BTK (0.79) BTKKDRKITPDGFRACSF1R
SCHEMBL4427732 0.96 BTK (0.75) BTKKDRKITPDGFRACSF1R
SCHEMBL725543 0.91 BTK (0.67) BTKKDRKITPDGFRACSF1R
SCHEMBL15973689 0.88 BTK (0.62) BTKKDRKITPDGFRACSF1R
SCHEMBL12575010 0.87 BTK (1.00) BTKKDRKITPDGFRACSF1R
SCHEMBL17135511 0.85 BTK (0.58) BTKKDRKITPDGFRACSF1R
Hydrochloric Acid SCHEMBL6125704 0.85 BTK (0.56) BTKKDRKITPDGFRACSF1R
SCHEMBL28843997 0.84 BTK (0.73) BTKKDRKITPDGFRACSF1R
SCHEMBL29884143 0.84 BTK (0.73) BTKKDRKITPDGFRACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231265-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GUPTA MANISH K (US) 2015-08-20 — — US disclosed
EP-2566331-B1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MFG PTE LTD (SG) 2014-09-03 — — EP disclosed
EP-2566331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME Glaxo Wellcome Manufacturing Pte Ltd (SG) 2013-03-13 — — EP disclosed
US-20130023550-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE, LTD (SG) 2013-01-24 — — US disclosed
US-20130012531-A1 TREATMENT METHOD GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2013-01-10 — — US disclosed
EP-2521550-A1 TREATMENT METHOD Glaxo Wellcome Manufacturing Pte Ltd (SG) 2012-11-14 — — EP disclosed
US-20120232102-A1 Methods Of Administration And Treatment GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-09-13 — — US disclosed
EP-2329821-B1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GLAXOSMITHKLINE LLC (US) 2012-08-22 — — EP disclosed
WO-2012103060-A1 METHOD OF ADMINISTRATION AND TREATMENT GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-08-02 — — WO disclosed
US-20120165354-A1 TREATMENT METHOD GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-06-28 — — US disclosed
US-20070208023-A1 Cancer Treatment Method SMITHKLINE BEECHAM CORPORATION (US) 2007-09-06 — — US disclosed
WO-2007064753-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 — — WO disclosed
WO-2007064752-A2 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 — — WO disclosed
EP-1755394-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2007-02-28 — — EP disclosed
US-20060252943-A1 Chemical process SMITHKLINE BEECHAM CORPORATION 2006-11-09 — — US disclosed
EP-1515955-A4 CHEMICAL PROCESS SMITHKLINE BEECHAM CORP (US) 2006-05-03 — — EP disclosed
WO-2006020564-A1 PYRIMIDIN DERIVATIVES FOR THE TREATMENT OF MULTIPLE MYELOMA SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 — — WO disclosed
WO-2005105094-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2005-11-10 — — WO disclosed
EP-1515955-A2 CHEMICAL PROCESS SmithKline Beecham Corporation (US) 2005-03-23 — — EP disclosed
WO-2003106416-A2 CHEMICAL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-24 — — 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-20070208023-A1 Cancer Treatment Method TP53, TYMP, TOP2A KDR 1918/4885KIT 295/4885PDGFRA 1333/4885
US-20120232102-A1 Methods Of Administration And Treatment AGER, VEGFA, FLT4 KDR 5/4885KIT 696/4885PDGFRA 61/4885
US-20130023550-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, PYGL, G6PC1 KDR 25/4885KIT 419/4885PDGFRA 191/4885
US-20150231265-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B KDR 65/4885KIT 385/4885PDGFRA 333/4885
US-20130012531-A1 TREATMENT METHOD FLT4, VEGFA, FLT1 KDR 4/4885KIT 94/4885PDGFRA 30/4885
US-20060252943-A1 Chemical process KDR, FLT4, FLT1 KDR 1/4885KIT 57/4885PDGFRA 7/4885
US-20120165354-A1 TREATMENT METHOD AGER, VEGFA, PDE6D KDR 21/4885KIT 855/4885PDGFRA 132/4885

“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.

Send feedback