SCHEMBL5269643

SCHEMBL5269643

O=c1c(F)cc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)nc2n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.49
CCND1 P24385 11/20 0.49
CDK2 P24941 5/20 0.49
CCNA2 P20248 4/20 0.49
CCND2 P30279 8/20 0.48
CCND3 P30281 8/20 0.48
CCNE2 O96020 3/20 0.48
CCNE1 P24864 3/20 0.48
FGFR1 P11362 3/20 0.46
PDGFRB P09619 1/20 0.46
SLC2A1 P11166 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
PKMYT1 Q99640 1/20 0.46
STAT6 P42226 4/20 0.46
CCNA1 P78396 2/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46

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
SCHEMBL5268470 0.91 CDK4 (0.51) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5264126 0.91 CDK4 (0.49) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5269639 0.87 CDK4 (0.65) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5263290 0.83 CDK4 (0.67) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5264503 0.83 CDK4 (0.50) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5264732 0.81 CDK4 (0.61) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL3970416 0.80 CDK4 (0.55) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5264123 0.80 CDK4 (0.65) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL5268468 0.80 CDK4 (0.65) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL3971770 0.80 CDK4 (0.65) CDK4CCND1CDK2CCNA2CCND2

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 5 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
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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 23/4885CDK2 11/4885

“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.