SCHEMBL6124221

SCHEMBL6124221

CCc1cn(C(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10495 0.83 CYP2C9 (0.37) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL11477981 0.81 CPA1 (0.35) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL21148770 0.81 CYP2C9 (0.31) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27635615 0.81 CPA1 (0.33) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL12226755 0.81 CPA1 (0.33) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL6124225 0.78 CDK5 (0.37) CPA1CPB2CDK5CDK5R1
SCHEMBL12015008 0.78 HRH4 (0.36) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL1402037 0.78 CYP2C9 (0.58) CPA1CPB2CDK5CDK5R1CYP2C9
SCHEMBL9097889 0.76 MEN1 (0.33) CPA1CPB2CDK5CDK5R1KDM5A
Hydrochloric Acid SCHEMBL3855530 0.76 TDP1 (0.59) CPA1CPB2CDK5CDK5R1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 — — WO disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 — — US disclosed
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 — — WO disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 — — US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2023-02-23 — — US disclosed
US-20220356192-A1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-11-10 — — US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 — — US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — 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 (17 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CPA1 1372/4885CPB2 529/4885CDK5 301/4885
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CPA1 2173/4885CPB2 1539/4885CDK5 715/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP CPA1 1045/4885CPB2 633/4885CDK5 248/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CPA1 450/4885CPB2 1546/4885CDK5 2144/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CPA1 1249/4885CPB2 656/4885CDK5 287/4885
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 CPA1 3404/4885CPB2 1773/4885CDK5 571/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CPA1 797/4885CPB2 627/4885CDK5 235/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 CPA1 4403/4885CPB2 2499/4885CDK5 376/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CPA1 1404/4885CPB2 776/4885CDK5 119/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 CPA1 857/4885CPB2 673/4885CDK5 312/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 CPA1 624/4885CPB2 1062/4885CDK5 1452/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CPA1 1372/4885CPB2 529/4885CDK5 301/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CPA1 4056/4885CPB2 2665/4885CDK5 460/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 CPA1 1432/4885CPB2 933/4885CDK5 2268/4885
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD CPA1 4295/4885CPB2 4008/4885CDK5 229/4885
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 CPA1 3636/4885CPB2 2698/4885CDK5 742/4885
US-20220356192-A1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS BRD4, BRD1, BET1 CPA1 3007/4885CPB2 3982/4885CDK5 360/4885

“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.

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