Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19748867

Cl.NC12CC(CN(C(=O)OCc3ccccc3)C1)C2

nearest known ligand 0.51

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
HTR2C known ✓ P28335 1/20 0.43
GRIN2B known ✓ Q13224 2/20 0.41
OPRD1 known ✓ P41143 1/20 0.40
OPRK1 known ✓ P41145 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RORC P51449 2/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ENPP2 Q13822 2/20 0.41
ATXN2 Q99700 2/20 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
SCHEMBL19766666 0.99 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL19747740 0.84 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL31085660 0.81 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL14139843 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL14139661 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL14139748 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL14139662 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL31460212 0.78 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20521256 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL17530616 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-08-11 US disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-04-02 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors INCYTE CORPORATION (US) 2018-11-27 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
WO-2017223414-A1 HETEROCYCLIC COMPOUNDS AS PI3K-γ INHIBITORS INCYTE CORPORATION (US) 2017-12-28 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 (8 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA HTR2C 1462/4885GRIN2B 1246/4885OPRD1 2049/4885
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3R5 HTR2C 2276/4885GRIN2B 1059/4885OPRD1 2049/4885
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD HTR2C 4235/4885GRIN2B 1812/4885OPRD1 2997/4885
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors PIK3CA, PIK3CG, PIK3CD HTR2C 1532/4885GRIN2B 1300/4885OPRD1 2577/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA HTR2C 2348/4885GRIN2B 1550/4885OPRD1 3072/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD HTR2C 4235/4885GRIN2B 1812/4885OPRD1 2997/4885
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD HTR2C 4235/4885GRIN2B 1812/4885OPRD1 2997/4885
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD HTR2C 4235/4885GRIN2B 1812/4885OPRD1 2997/4885

“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.