SCHEMBL6808498

SCHEMBL6808498

CCn1c(=O)c(C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.74
▸ CCND1 P24385 14/20 0.74
▸ CCND2 P30279 12/20 0.74
▸ CCND3 P30281 12/20 0.74
▸ WEE1 P30291 1/20 0.73
▸ PAK1 Q13153 4/20 0.71
▸ PKN1 Q16512 3/20 0.71
▸ PAK4 O96013 2/20 0.71
▸ PAK3 O75914 2/20 0.62
▸ PAK2 Q13177 2/20 0.62
▸ FGFR1 P11362 5/20 0.58
▸ FGFR2 P21802 4/20 0.58
▸ FGFR4 P22455 4/20 0.58
▸ FGFR3 P22607 4/20 0.58
▸ SRC P12931 1/20 0.58
▸ CCNA2 P20248 5/20 0.57
▸ CDK2 P24941 5/20 0.57
▸ CCNE1 P24864 4/20 0.57
▸ CDK1 P06493 3/20 0.57
▸ CCNB1 P14635 3/20 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
SCHEMBL659714 0.90 CDK4 (0.72) CDK4CCND1CCND2CCND3WEE1
SCHEMBL1681080 0.89 CDK4 (0.71) CDK4CCND1CCND2CCND3WEE1
SCHEMBL10192790 0.87 WEE1 (0.77) CDK4CCND1CCND2CCND3WEE1
SCHEMBL5265052 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3PAK1
SCHEMBL13553998 0.85 WEE1 (0.72) CDK4CCND1CCND2CCND3WEE1
SCHEMBL15785467 0.85 WEE1 (0.69) CDK4CCND1CCND2CCND3WEE1
SCHEMBL15785468 0.85 WEE1 (0.69) CDK4CCND1CCND2CCND3WEE1
SCHEMBL15035991 0.85 PAK1 (0.69) CDK4CCND1CCND2CCND3WEE1
SCHEMBL15036160 0.85 PAK1 (0.67) CDK4CCND1CCND2CCND3WEE1
SCHEMBL13553528 0.85 PAK1 (0.69) CDK4CCND1CCND2CCND3WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 — — US disclosed
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 — — CN 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK4 1/4885CCND1 23/4885CCND2 25/4885

“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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