SCHEMBL5264498

SCHEMBL5264498

Nc1cc(=O)n(C2CCCCC2)c2nc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)ncc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.65
CCND1 P24385 20/20 0.65
CCND2 P30279 20/20 0.65
CCND3 P30281 20/20 0.65
CCNB2 O95067 4/20 0.63
CDK1 P06493 4/20 0.63
CCNB1 P14635 4/20 0.63
CCNB3 Q8WWL7 4/20 0.63
CCNE2 O96020 5/20 0.58
CCNE1 P24864 5/20 0.58
CDK2 P24941 5/20 0.58
NUAK1 O60285 2/20 0.56
MARK3 P27448 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
MARK4 Q96L34 1/20 0.56
NUAK2 Q9H093 1/20 0.56
MARK1 Q9P0L2 1/20 0.56
CCNA2 P20248 4/20 0.56
CCNA1 P78396 4/20 0.56
FGFR1 P11362 2/20 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
SCHEMBL6938439 0.90 CDK4 (0.79) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5264503 0.87 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5264123 0.87 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6807750 0.87 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5634682 0.86 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNB2
Trifluoroacetic Acid SCHEMBL7076599 0.85 CDK4 (0.73) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL3971770 0.84 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7071654 0.84 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5319200 0.83 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6944806 0.83 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNB2

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 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.