SCHEMBL29659481

SCHEMBL29659481

CC(C)CC(=O)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.69
CCNA2 P20248 19/20 0.69
CCNA1 P78396 19/20 0.69
CDK5 Q00535 2/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CDK9 P50750 1/20 0.53

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
SCHEMBL29659569 0.84 CDK2 (0.79) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL29659491 0.81 CCNA2 (0.70) CDK2CCNA2CCNA1
SCHEMBL5868111 0.81 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL27594396 0.80 CDK2 (0.67) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL6194008 0.79 CDK2 (0.75) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL5867847 0.78 CDK2 (0.74) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL5867756 0.78 CCNA2 (0.55) CDK2CCNA2CCNA1
SCHEMBL27583845 0.78 CDK2 (0.65) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL5867559 0.76 CDK2 (0.63) CDK2CCNA2CCNA1CDK5CCNB2
SCHEMBL5867732 0.76 CCNA2 (0.62) CDK2CCNA2CCNA1

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 9 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
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 CDK2 20/4885CCNA2 30/4885CCNA1 37/4885
US-20240277722-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-CANCER AGENT CDK7, CDK17, CDK6 CDK2 17/4885CCNA2 46/4885CCNA1 30/4885
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT CDK7, CDK17, HDAC7 CDK2 25/4885CCNA2 100/4885CCNA1 75/4885
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 CDK2 20/4885CCNA2 30/4885CCNA1 37/4885
US-20220098156-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 CDK2 20/4885CCNA2 30/4885CCNA1 37/4885

“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.