Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19252861

C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccc(N)cc5)c4)nc3n21.Cl

nearest known ligand 0.98

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 4)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 17/20 0.98
RPS6KA2 Q15349 7/20 0.98
RPS6KA1 Q15418 2/20 0.98
RPS6KA6 Q9UK32 2/20 0.98

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 SCHEMBL29477399 1.00 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL31669012 1.00 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL31669013 1.00 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19252896 0.99 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19278647 0.99 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL19252834 0.94 RPS6KA3 (0.87) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19252833 0.93 RPS6KA3 (0.88) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19252845 0.92 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1993377 0.91 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1988119 0.91 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378245-B2 Crystalline forms of an RSK inhibitor PHOENIX MOLECULAR DESIGNS (CA) 2025-08-05 US claimed
US-20220112193-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR PHOENIX MOLECULAR DESIGNS (CA) 2022-04-14 US claimed
EP-3924352-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR Phoenix Molecular Designs (CA) 2021-12-22 EP claimed
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2021-06-24 US claimed
EP-3416964-B1 6-OXO-N-(1-(BENZYL)-1H-PYRAZOL-4-YL)-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER PHOENIX MOLECULAR DESIGNS (CA) 2020-12-16 EP claimed
WO-2020165646-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR PHOENIX MOLECULAR DESIGNS (CA) 2020-08-20 WO claimed
US-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2019-05-09 US claimed
EP-3416964-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS Phoenix Molecular Designs (CA) 2018-12-26 EP claimed
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGNS (CA) 2018-09-25 US claimed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US claimed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US claimed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US claimed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 WO claimed
US-12378245-B2 Crystalline forms of an RSK inhibitor PHOENIX MOLECULAR DESIGNS (CA) 2025-08-05 US disclosed
US-20220112193-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR PHOENIX MOLECULAR DESIGNS (CA) 2022-04-14 US disclosed
EP-3924352-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR Phoenix Molecular Designs (CA) 2021-12-22 EP disclosed
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
WO-2017141116-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 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-12378245-B2 Crystalline forms of an RSK inhibitor DMPK, RPS6KA4, RPS6KA2 RPS6KA3 7/4885RPS6KA2 3/4885RPS6KA1 6/4885
US-20190134029-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 RPS6KA3 4/4885RPS6KA2 2/4885RPS6KA1 3/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 RPS6KA3 4/4885RPS6KA2 2/4885RPS6KA1 3/4885
US-10081632-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-α]pyrazine-2-carboxamides as RSK inhibitors RPS6KA2, RPS6KA5, RPS6KA1 RPS6KA3 6/4885RPS6KA2 1/4885RPS6KA1 3/4885
US-20220112193-A1 CRYSTALLINE FORMS OF AN RSK INHIBITOR DMPK, RPS6KA4, RPS6KA2 RPS6KA3 7/4885RPS6KA2 3/4885RPS6KA1 6/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 RPS6KA3 4/4885RPS6KA2 1/4885RPS6KA1 3/4885
US-20210186961-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 RPS6KA3 4/4885RPS6KA2 1/4885RPS6KA1 3/4885

“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.