SCHEMBL23510554

SCHEMBL23510554

CC(C)n1c(=O)ccc2ccc(C#N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.44
CCND1 P24385 5/20 0.44
CCND2 P30279 3/20 0.44
CCND3 P30281 3/20 0.44
AURKA O14965 1/20 0.40
LIMK1 P53667 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK8 P45983 12/20 0.40
MAPK10 P53779 10/20 0.40
MAPK9 P45984 7/20 0.40
CDK2 P24941 3/20 0.37
CCNE1 P24864 2/20 0.37
CCNA2 P20248 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
FGFR1 P11362 1/20 0.37
CCNB1 P14635 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL19231460 0.78 CDC7 (0.44) CDK4CCND1CCND2CCND3CDC7
SCHEMBL29310486 0.74 ADORA2B (0.38)
SCHEMBL20710553 0.72 CDK4 (0.45) CDK4CCND1CCND2CCND3AURKA
SCHEMBL27780816 0.72 CDC7 (0.35) CDC7NQO1
SCHEMBL27780814 0.72 CDK4 (0.46) CDK4CCND1CCND2CCND3CDK2
SCHEMBL20710534 0.71 MAPK8 (0.47) CDK4CCND1CCND2CCND3AURKA
SCHEMBL24856132 0.71 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL27250199 0.70 CDK4 (0.49) CDK4CCND1CCND2CCND3AURKA
SCHEMBL25463635 0.69 CDK4 (0.58) CDK4CCND1CCND2CCND3AURKA
SCHEMBL4590556 0.69 MEN1 (0.38) CDK4CCND1CCND2CCND3CDK2

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-20210179636-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 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-20210179636-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD CDK4 485/4885CCND1 333/4885CCND2 326/4885

“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.