SCHEMBL20710554

SCHEMBL20710554

COc1ncc2ccc(=O)n(C(C)C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.54
CCND1 P24385 5/20 0.54
CCND2 P30279 3/20 0.54
CCND3 P30281 3/20 0.54
AURKA O14965 1/20 0.50
LIMK1 P53667 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAPK8 P45983 11/20 0.49
MAPK10 P53779 9/20 0.49
MAPK9 P45984 6/20 0.49
CYP1A2 P05177 2/20 0.47
CDK2 P24941 3/20 0.46
CCNE1 P24864 2/20 0.46
CCNA2 P20248 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46
CCNB1 P14635 1/20 0.46
FGFR2 P21802 1/20 0.46

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
SCHEMBL19231463 0.80 CYP1A2 (0.62) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL25463635 0.80 CDK4 (0.58) CDK4CCND1CCND2CCND3AURKA
SCHEMBL24855874 0.79 CDK4 (0.49) CDK4CCND1CCND2CCND3AURKA
SCHEMBL24669972 0.79 CDK4 (0.69) CDK4CCND1CCND2CCND3AURKA
SCHEMBL24856132 0.78 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL4825502 0.78 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL5266289 0.78 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL20710553 0.76 CDK4 (0.45) CDK4CCND1CCND2CCND3AURKA
SCHEMBL29991137 0.76 CDK4 (0.54) CDK4CCND1CCND2CCND3AURKA
SCHEMBL5264817 0.76 CDK4 (0.54) CDK4CCND1CCND2CCND3AURKA

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-20190040083-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-07 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-20190040083-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.