SCHEMBL5315976

SCHEMBL5315976

Nc1ncc2ccc(=O)n(C3CCCCC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 0.60
CDK4 P11802 14/20 0.60
CCND2 P30279 10/20 0.60
CCND3 P30281 10/20 0.60
CDK2 P24941 18/20 0.58
CCNA2 P20248 9/20 0.58
FGFR1 P11362 5/20 0.58
FGFR2 P21802 5/20 0.58
FGFR4 P22455 5/20 0.58
FGFR3 P22607 5/20 0.58
CCNE1 P24864 14/20 0.57
CDK6 Q00534 9/20 0.57
CCNA1 P78396 7/20 0.55
CCNE2 O96020 5/20 0.55
CCNB2 O95067 3/20 0.55
CDK1 P06493 3/20 0.55
CCNB1 P14635 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
CCNT1 O60563 3/20 0.54
CDK9 P50750 3/20 0.54

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
SCHEMBL6807554 0.81 CCND1 (0.60) CCND1CDK4CCND2CCND3CDK2
SCHEMBL4828470 0.80 CCND1 (0.57) CCND1CDK4CCND2CCND3CDK2
SCHEMBL5263603 0.80 CCND1 (0.57) CCND1CDK4CCND2CCND3CDK2
SCHEMBL3306096 0.79 CCND1 (0.78) CCND1CDK4CCND2CCND3CDK2
SCHEMBL5269917 0.79 CCND1 (0.78) CCND1CDK4CCND2CCND3CDK2
SCHEMBL29990953 0.78 CCND1 (0.56) CCND1CDK4CCND2CCND3CDK2
SCHEMBL574660 0.78 CCND1 (0.56) CCND1CDK4CCND2CCND3CDK2
SCHEMBL5262718 0.78 CCND1 (0.55) CCND1CDK4CCND2CCND3CDK2
SCHEMBL4875852 0.78 CCND1 (0.55) CCND1CDK4CCND2CCND3CDK2
SCHEMBL19857389 0.77 CCND1 (0.60) CCND1CDK4CCND2CCND3CDK2

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
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CCND1 23/4885CDK4 1/4885CCND2 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.