SCHEMBL23507961

SCHEMBL23507961

CCc1ccc2cnc(=O)n(C(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 7/20 0.42
▸ CCND1 P24385 7/20 0.42
▸ CCND2 P30279 5/20 0.42
▸ CCND3 P30281 5/20 0.42
▸ MAPK8 P45983 12/20 0.40
▸ MAPK10 P53779 10/20 0.40
▸ MAPK9 P45984 7/20 0.39
▸ AURKA O14965 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CDK2 P24941 3/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 1/20 0.36

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
SCHEMBL22419390 0.78 CDK4 (0.35) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL17807777 0.78 CDK4 (0.44) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL20251396 0.76 CSNK1E (0.39) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL22419361 0.72 CASR (0.44) CDK4CCND1CCND2CCND3
SCHEMBL17807809 0.71 CDK4 (0.37) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL19199989 0.71 KDM4E (0.36) —
SCHEMBL19200146 0.70 POLB (0.44) CDK1
SCHEMBL25463635 0.67 CDK4 (0.58) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL25004173 0.67 CDK4 (0.67) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL23507951 0.66 — —

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-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2021-06-17 — — 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-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK4 238/4885CCND1 1185/4885CCND2 934/4885

“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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