SCHEMBL25125987

SCHEMBL25125987

Cc1cnc(Nc2cccc(NC(O)c3ccc(NC(=O)/C=C/CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 17/20 0.69
▸ CCNH P51946 16/20 0.69
▸ CDK5 Q00535 4/20 0.67
▸ CDK5R1 Q15078 3/20 0.67
▸ MAP3K11 Q16584 2/20 0.67
▸ CDK1 P06493 2/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ CDK9 P50750 2/20 0.67
▸ MNAT1 P51948 2/20 0.67
▸ CDK13 Q14004 2/20 0.67
▸ CDK12 Q9NYV4 2/20 0.67
▸ CCNT1 O60563 1/20 0.67
▸ CCNK O75909 1/20 0.67
▸ CCNB1 P14635 1/20 0.67
▸ CCNA2 P20248 1/20 0.67
▸ MAPK8 P45983 1/20 0.67
▸ MAPK9 P45984 1/20 0.67
▸ CDK8 P49336 1/20 0.64
▸ EGFR P00533 1/20 0.57

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
SCHEMBL20867338 0.91 CDK7 (0.80) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL18313467 0.88 CDK7 (0.85) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL17721718 0.85 CDK7 (0.70) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL25125992 0.85 CDK7 (0.79) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL20867328 0.84 CDK7 (0.79) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL18313555 0.83 CDK7 (0.83) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL18078676 0.83 CDK7 (0.90) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL22192118 0.82 CDK7 (0.67) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL17721720 0.81 CDK7 (1.00) CDK7CCNHCDK5CDK5R1MAP3K11
SCHEMBL18313719 0.81 CDK7 (0.81) CDK7CCNHCDK5CDK5R1MAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-13 — — 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 (1 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-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 CDK7 1/4885CCNH 45/4885CDK5 18/4885

“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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