SCHEMBL5753276

SCHEMBL5753276

COCCOc1ccc(Nc2ncc3cc(Cc4ccccc4)c(=O)n(C(C)C)c3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.45
CCND1 P24385 7/20 0.45
CCND2 P30279 6/20 0.45
CCND3 P30281 6/20 0.45
EGFR P00533 3/20 0.43
FGFR1 P11362 1/20 0.43
CYP1A2 P05177 8/20 0.41
USP2 O75604 7/20 0.41
CASP1 P29466 7/20 0.41
CASP7 P55210 7/20 0.41
HIF1A Q16665 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ITK Q08881 1/20 0.41
CYP2C9 P11712 3/20 0.41
HBB P68871 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5753641 0.83 CYP1A2 (0.41) CDK4CCND1CCND2CCND3EGFR
SCHEMBL5750776 0.78 CDK4 (0.58) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507500 0.68 CDK4 (0.63) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4830672 0.68 CDK4 (0.63) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL2006201 0.68 PIK3CA (0.50) FGFR1
SCHEMBL5114082 0.68 WEE1 (0.60) CDK4CCND1CCND2CCND3EGFR
SCHEMBL13553978 0.67 PLK2 (0.60) CDK4CCND1CCND2CCND3EGFR
SCHEMBL13554032 0.67 CDK4 (0.70) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4828507 0.67 CDK4 (0.65) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507395 0.67 CDK4 (0.65) CDK4CCND1CCND2CCND3FGFR1

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
EP-1718645-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO 2,3-D PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2006-11-08 EP claimed
WO-2005082903-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2005-09-09 WO claimed
US-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY, LLC 2005-08-18 US claimed
EP-1718645-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO 2,3-D PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2006-11-08 EP disclosed
WO-2005082903-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2005-09-09 WO disclosed
US-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY, LLC 2005-08-18 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-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones CDK2, CDK4, CDK1 CDK4 2/4885CCND1 18/4885CCND2 20/4885

“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.