SCHEMBL6804657

SCHEMBL6804657

CCC(CC)n1c(=O)ccc2cnc(Nc3cccc([N+](=O)[O-])c3)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.58
CCND1 P24385 13/20 0.58
CCND2 P30279 12/20 0.58
CCND3 P30281 12/20 0.58
CDK2 P24941 7/20 0.48
CCNE1 P24864 6/20 0.48
CCNA2 P20248 5/20 0.48
CCNE2 O96020 5/20 0.48
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CCNB2 O95067 4/20 0.48
FGFR1 P11362 4/20 0.48
FGFR2 P21802 4/20 0.48
FGFR4 P22455 4/20 0.48
FGFR3 P22607 4/20 0.48
CCNA1 P78396 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
SRC P12931 2/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL6808962 0.91 CDK4 (0.71) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6807985 0.89 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6808613 0.84 CDK4 (0.62) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6812325 0.84 CDK4 (0.62) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6807543 0.83 CDK4 (0.70) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263049 0.83 CDK4 (0.80) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6804214 0.83 CDK4 (0.46) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6813169 0.81 CDK4 (0.59) CDK4CCND1CCND2CCND3CDK2
SCHEMBL7508979 0.81 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6812684 0.81 CDK4 (0.48) 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 6 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 claimed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP claimed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO claimed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO 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.