Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18302136

Cl.N=C(N)c1cnn2ccccc12

nearest known ligand 0.47

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
LCK known ✓ P06239 1/20 0.47
GAA known ✓ P10253 1/20 0.45
DRD4 known ✓ P21917 1/20 0.42
DRD3 known ✓ P35462 1/20 0.42
EPHB3 P54753 5/20 0.47
RIPK2 O43353 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL16795280 0.98 EPHB3 (0.48) EPHB3RIPK2LCKALDH1A1KDM4E
Hypochlorous Acid SCHEMBL20240125 0.95 EPHB3 (0.49) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL956445 0.81 EPHB3 (0.48) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL11300658 0.81 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19119427 0.77 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30152645 0.77 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1693996 0.76 EPHB3 (0.44) EPHB3ALDH1A1KDM4EHSD17B10HTT
Carbamic Acid SCHEMBL16050080 0.75 NPC1 (0.53) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL416200 0.75 EPHB3 (0.56) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL12067334 0.74 EPHB3 (0.45) EPHB3ALDH1A1KDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188053-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2025-06-12 US disclosed
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
US-11292781-B2 Pyrimidine tricyclic enone derivatives for inhibition of ROR-gamma and other uses REATA PHARMACEUTICALS, INC. (US) 2022-04-05 US disclosed
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2020-09-01 US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 US disclosed
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2018-06-14 US disclosed
EP-3307272-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2018-04-18 EP disclosed
WO-2016198663-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2016-12-15 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 (6 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA LCK 746/4885GAA 1882/4885DRD4 3772/4885
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK2, JAK3, JAK1 LCK 52/4885GAA 2872/4885DRD4 4202/4885
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors JAK2, JAK3, JAK1 LCK 52/4885GAA 2872/4885DRD4 4202/4885
US-20250188053-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA LCK 746/4885GAA 1882/4885DRD4 3772/4885
US-11292781-B2 Pyrimidine tricyclic enone derivatives for inhibition of ROR-gamma and other uses RORC, RORB, RORA LCK 746/4885GAA 1882/4885DRD4 3772/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA LCK 746/4885GAA 1882/4885DRD4 3772/4885

“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.