SCHEMBL4833424

SCHEMBL4833424

C[S+]([O-])c1ncc2cc(NC(=O)OC(C)(C)C)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
FGFR4 P22455 1/20 0.38
CCND1 P24385 14/20 0.37
CDK4 P11802 9/20 0.37
CCND2 P30279 4/20 0.37
CCND3 P30281 4/20 0.37
CDK2 P24941 9/20 0.37
CCNE1 P24864 7/20 0.37
CDK6 Q00534 7/20 0.37
NUAK1 O60285 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL29594767 0.83 OPRM1 (0.42) OPRM1OPRD1OGFRL1FGFR4CCND1
SCHEMBL4826111 0.83 OPRM1 (0.42) OPRM1OPRD1OGFRL1FGFR4CCND1
SCHEMBL4826681 0.77 CCND1 (0.48) CCND1CDK4CCND2CCND3CDK2
SCHEMBL4828668 0.77 CDK2 (0.53) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL31153370 0.76 CCND1 (0.55) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL4830604 0.76 CCND1 (0.55) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL24618888 0.75 CCND1 (0.40) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL22165298 0.75 CDK4 (0.48) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL4835866 0.75 CCND1 (0.54) FGFR4CCND1CDK4CCND2CCND3
SCHEMBL29507751 0.75 CDK2 (0.40) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US disclosed
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY 2007-08-02 US disclosed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 US disclosed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US disclosed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US disclosed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 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 (3 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-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 OPRM1 4687/4885OPRD1 3638/4885OGFRL1 4148/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 OPRM1 4768/4885OPRD1 3760/4885OGFRL1 4273/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 OPRM1 4733/4885OPRD1 3764/4885OGFRL1 4258/4885

“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.