SCHEMBL6807554

SCHEMBL6807554

O=c1ccc2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 17/20 0.60
CDK2 P24941 17/20 0.60
CDK4 P11802 13/20 0.60
CCND2 P30279 9/20 0.60
CCND3 P30281 9/20 0.60
CCNA2 P20248 8/20 0.60
FGFR1 P11362 4/20 0.60
FGFR2 P21802 4/20 0.60
FGFR4 P22455 4/20 0.60
FGFR3 P22607 4/20 0.60
CCNA1 P78396 6/20 0.56
CCNE1 P24864 14/20 0.53
CDK6 Q00534 7/20 0.53
CCNE2 O96020 5/20 0.53
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
CCNB2 O95067 3/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53

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
SCHEMBL5315976 0.81 CCND1 (0.60) CCND1CDK2CDK4CCND2CCND3
SCHEMBL30839259 0.79 CYP1A2 (0.57) CCND1CDK2CDK4CCND2CCND3
SCHEMBL29175816 0.79 CYP1A2 (0.57) CCND1CDK2CDK4CCND2CCND3
SCHEMBL29990953 0.79 CCND1 (0.56) CCND1CDK2CDK4CCND2CCND3
SCHEMBL574660 0.79 CCND1 (0.56) CCND1CDK2CDK4CCND2CCND3
SCHEMBL29175808 0.78 CYP1A2 (0.56) CCND1CDK2CDK4CCND2CCND3
SCHEMBL30839257 0.78 CYP1A2 (0.56) CCND1CDK2CDK4CCND2CCND3
SCHEMBL31475403 0.78 CDK2 (0.57) CCND1CDK2CDK4CCND2CCND3
SCHEMBL19857389 0.78 CCND1 (0.60) CCND1CDK2CDK4CCND2CCND3
SCHEMBL4828470 0.78 CCND1 (0.57) CCND1CDK2CDK4CCND2CCND3

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 3 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
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 CCND1 23/4885CDK2 11/4885CDK4 1/4885

“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.