Hydrochloric Acid

Hydrochloric Acid

SCHEMBL628534

Cl.N=C(N)c1ncccn1

nearest known ligand 0.43

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
ADRA2A known ✓ P08913 2/20 0.37
ADRA2B known ✓ P18089 2/20 0.37
ADRA2C known ✓ P18825 2/20 0.37
HSP90AA1 known ✓ P07900 1/20 0.36
P2RX7 Q99572 1/20 0.41
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.39
PRSS1 P07477 4/20 0.39
PRSS3 P35030 3/20 0.39
PRSS2 P07478 2/20 0.39
C1S P09871 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 4/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
PLAU P00749 3/20 0.34

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
SCHEMBL1179705 0.97
Pyridine SCHEMBL8144132 0.85 NAPRT (0.41) P2RX7BLMLMNAPRSS1PRSS3
Acetic Acid SCHEMBL3228897 0.84 P2RX7 (0.43) P2RX7BLMLMNAF2F10
SCHEMBL1938612 0.74 SMN1; SMN2 (0.55) LMNAKMT2AF2F10F12
SCHEMBL15102676 0.74 PRSS1 (0.37) BLMPRSS1PRSS3PRSS2C1S
Hydrochloric Acid SCHEMBL25337662 0.72 P2RX7 (0.52) P2RX7BLMLMNARECQLADRA2A
SCHEMBL795730 0.72
Hydrochloric Acid SCHEMBL27440453 0.72 P2RX7 (0.52) P2RX7BLMLMNARECQLADRA2A
Hydrochloric Acid SCHEMBL22042761 0.72 IDO1 (0.32) BLMPRSS1PRSS3PRSS2C1S
Hydrochloric Acid SCHEMBL22042765 0.72 ADRA2A (0.39) BLMPRSS1PRSS3PRSS2C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US claimed
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP claimed
WO-2011024056-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF BOSENTAN AUROBINDO PHARMA LIMITED (IN) 2011-03-03 WO claimed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO claimed
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 2010-10-20 EP claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
CN-1109023-C Preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-05-21 CN claimed
EP-0841326-B1 Process for the preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2001-05-16 EP claimed
US-6121447-A STARTING WITH 2-CYANOPYRIMIDINE, WHICH IS PREPARED BY REACTING 2-CHLOROPYRIMIDINE WITH AN ALKALI CYANIDE IN THE PRESENCE OF 1-AZABICYCLO(2,2,2)OCTANE OR 1,4-DIAZABICYCLO(2,2,2)OCTANE HOFFMANN-LA ROCHE INC. (US) 2000-09-19 US claimed
CN-1182082-A Preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1998-05-20 CN claimed
EP-0841326-A1 Process for the preparation of pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP claimed
EP-4142732-B1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2026-04-22 EP disclosed
US-20250304597-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2025-10-02 US disclosed
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines HOFFMANN-LA ROCHE INC. (US) 2025-06-03 US disclosed
EP-3892617-B1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR UNIMATEC CO LTD (JP) 2025-04-30 EP disclosed
US-4762926-A ADDITION POLYMERS COMPLEXED WITH METAL, CATALYSTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US disclosed
US-4582881-A EXTRACTION OF METALS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed
EP-0069058-B1 2-SUBSTITUTED 5-VINYLPYRIMIDINES, POLYMERS TO BE PREPARED THEREOF AND PROCESS FOR THEIR PREPARATION CIBA-GEIGY AG (CH) 1986-02-26 EP disclosed
US-4476305-A TRANSVINYLATION, METAL ION EXTRACTORS CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed
EP-0069058-A2 2-Substituted 5-vinylpyrimidines, polymers to be prepared thereof and process for their preparation CIBA-GEIGY AG (CH) 1983-01-05 EP 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 (3 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-20250304597-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS ADRA2A 1968/4885ADRA2B 2391/4885ADRA2C 2132/4885
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines TPMT, DPYD, DHPS ADRA2A 4408/4885ADRA2B 3258/4885ADRA2C 4139/4885
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R ADRA2A 58/4885ADRA2B 66/4885ADRA2C 81/4885

“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.