SCHEMBL21569008

SCHEMBL21569008

COCCN(C)CC=CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
FGFR2 P21802 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL25844821 1.00 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2CHRNB2
SCHEMBL2842621 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL14165483 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL14165482 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL2842616 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL23936998 0.83
Hydrochloric Acid SCHEMBL15709158 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2
SCHEMBL14617834 0.82 HCAR2 (0.41) PIK3CDEGFRERBB2FGFR2
Hydrochloric Acid SCHEMBL15709160 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2
SCHEMBL2227392 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US claimed
US-20240277722-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-CANCER AGENT AURIGENE ONCOLOGY LTD (IN) 2024-08-22 US claimed
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT AURIGENE ONCOLOGY LIMITED (IN) 2024-01-18 US claimed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US claimed
US-20220098156-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-31 US claimed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 EP claimed
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US disclosed
US-20240277722-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-CANCER AGENT AURIGENE ONCOLOGY LTD (IN) 2024-08-22 US disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
US-20220098156-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-31 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 (5 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-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 PIK3CD 695/4885EGFR 2065/4885ERBB2 1170/4885
US-20240277722-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-CANCER AGENT CDK7, CDK17, CDK6 PIK3CD 704/4885EGFR 1287/4885ERBB2 1645/4885
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT CDK7, CDK17, HDAC7 PIK3CD 1049/4885EGFR 2251/4885ERBB2 2137/4885
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 PIK3CD 695/4885EGFR 2065/4885ERBB2 1170/4885
US-20220098156-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 PIK3CD 695/4885EGFR 2065/4885ERBB2 1170/4885

“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.