Hydrochloric Acid

Hydrochloric Acid

SCHEMBL439719

Cc1c(C)n(Cc2ccccc2)c2ccnc(NCc3ccc(F)cc3)c12.Cl

nearest known ligand 0.46

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
ACHE known ✓ P22303 2/20 0.42
ABL1 known ✓ P00519 1/20 0.41
SRC known ✓ P12931 1/20 0.41
FLT3 known ✓ P36888 1/20 0.41
GAA known ✓ P10253 2/20 0.41
UTS2R Q9UKP6 1/20 0.46
TP53 P04637 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FYN P06241 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL885715 0.99 UTS2R (0.47) UTS2RTP53MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL439779 0.96 LRRK2 (0.41) UTS2RTP53MEN1KMT2AMAPT
SCHEMBL2317798 0.94 LRRK2 (0.42) UTS2RTP53MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL441778 0.91 KDM4E (0.41) UTS2RTP53MEN1KMT2AMAPT
SCHEMBL2319573 0.89 KDM4E (0.42) UTS2RTP53MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL441858 0.89 MEN1 (0.38) TP53MEN1KMT2AHTTPOLB
SCHEMBL2317518 0.87 MEN1 (0.39) TP53MEN1KMT2AHTTPOLB
Hydrochloric Acid SCHEMBL438326 0.86 MAPT (0.43) TP53MEN1KMT2AMAPTHTT
SCHEMBL885525 0.85 MAPT (0.44) TP53MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL436288 0.84 POLB (0.44) UTS2RTP53MEN1KMT2AHTT

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-8513277-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2013-08-20 US claimed
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-03-15 US claimed
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed
CN-101018788-B Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-08-25 CN claimed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US claimed
CN-101018788-A Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-15 CN claimed
WO-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 WO claimed
US-8513277-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2013-08-20 US disclosed
US-8148529-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-04-03 US disclosed
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-03-15 US disclosed
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP disclosed
CN-101018788-B Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-08-25 CN disclosed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US disclosed
CN-101018788-A Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-15 CN disclosed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 WO disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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 (2 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-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof ATP6AP1, PPOX, PGA5 ACHE 3245/4885ABL1 3100/4885SRC 3638/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD ACHE 3424/4885ABL1 1664/4885SRC 3244/4885

“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.