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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 known ✓ | P11802 | 5/20 | 0.49 |
| ▸ | CDK6 known ✓ | Q00534 | 4/20 | 0.42 |
| ▸ | CDK9 | P50750 | 11/20 | 0.49 |
| ▸ | CDK7 | P50613 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 11/20 | 0.48 |
| ▸ | CDK1 | P06493 | 5/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.48 |
| ▸ | CCNH | P51946 | 5/20 | 0.48 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20971708 | 0.99 | CDK9 (0.49) | CDK9CDK7CDK4RAB9AMEN1 | |
| SCHEMBL31064232 | 0.85 | CHEK1 (0.52) | CDK9CDK7CDK4CDK2CDK1 | |
| SCHEMBL31063937 | 0.83 | CDK2 (0.46) | CDK9CDK7CDK4CDK2CDK1 | |
| SCHEMBL30865957 | 0.82 | CDK7 (0.45) | CDK9CDK7CDK4RAB9AMEN1 | |
| SCHEMBL31064391 | 0.80 | CHEK1 (0.48) | CDK9CDK7CDK4CDK2CDK1 | |
| SCHEMBL22437597 | 0.80 | CDK9 (0.61) | CDK9CDK7CDK4RAB9AMEN1 | |
| SCHEMBL20971705 | 0.79 | CDK9 (0.66) | CDK9CDK7CDK4RAB9AMEN1 | |
| SCHEMBL20971693 | 0.79 | CDK9 (0.66) | CDK9CDK7CDK4RAB9AMEN1 | |
| SCHEMBL23547492 | 0.78 | CDK2 (0.50) | CDK9CDK7CDK4CDK2CDK1 | |
| SCHEMBL31064455 | 0.78 | CDK9 (0.66) | CDK9CDK7CDK4RAB9AMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3710446-B1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | LILLY CO ELI (US) | 2022-07-20 | — | — | EP | disclosed |
| CN-111344292-B | Compounds for inhibiting CDK7 | 伊莱利利公司 | 2022-06-03 | — | — | CN | disclosed |
| US-20210032257-A1 | (E)-1-(4-(DIMETHYLAMINO)BUT-2-ENOYL)PYRROLIDIN-3-YL 4-((3-ISOPROPYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)AMINO)PIPERIDINE-1-CARBOXYLATE FOR INHIBITING CDK7 | ELI LILLY AND COMPANY | 2021-02-04 | — | — | US | disclosed |
| US-10787460-B2 | (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 | ELI LILLY AND COMPANY (US) | 2020-09-29 | — | — | US | disclosed |
| EP-3710446-A1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | Eli Lilly and Company (US) | 2020-09-23 | — | — | EP | disclosed |
| US-10472370-B2 | (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 | ELI LILLY AND COMPANY (US) | 2019-11-12 | — | — | US | disclosed |
| US-20190144456-A1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | ELI LILLY AND COMPANY | 2019-05-16 | — | — | US | 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 (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190144456-A1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | CDK7, CDK17, CDK8 | CDK4 19/4885CDK6 4/4885CDK9 5/4885 |
| US-10472370-B2 | (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 | CDK7, CDK9, CDK8 | CDK4 7/4885CDK6 4/4885CDK9 2/4885 |
| US-10787460-B2 | (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 | CDK7, CDK9, CDK8 | CDK4 7/4885CDK6 4/4885CDK9 2/4885 |
| US-20210032257-A1 | (E)-1-(4-(DIMETHYLAMINO)BUT-2-ENOYL)PYRROLIDIN-3-YL 4-((3-ISOPROPYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)AMINO)PIPERIDINE-1-CARBOXYLATE FOR INHIBITING CDK7 | CDK7, CDK9, CDK8 | CDK4 7/4885CDK6 4/4885CDK9 2/4885 |
“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.