SCHEMBL4835866

SCHEMBL4835866

CCc1cc2cnc([S+](C)[O-])nc2n(C2CCCC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 17/20 0.54
CDK2 P24941 17/20 0.54
CCNE1 P24864 15/20 0.54
CDK6 Q00534 12/20 0.54
CDK4 P11802 10/20 0.50
FGFR1 P11362 3/20 0.50
FGFR2 P21802 3/20 0.50
FGFR4 P22455 3/20 0.50
FGFR3 P22607 3/20 0.50
CCNA2 P20248 2/20 0.50
CCND2 P30279 1/20 0.48
CCND3 P30281 1/20 0.48
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
RB1 P06400 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL4826701 0.89 CCND1 (0.58) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4826059 0.89 CCND1 (0.57) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4834958 0.88 CCND1 (0.55) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4833267 0.86 CCND1 (0.53) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4828668 0.86 CDK2 (0.53) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4826681 0.86 CCND1 (0.48) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL13554037 0.85 CTSS (0.48) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4828578 0.85 CCND1 (0.45) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4830604 0.85 CCND1 (0.55) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL31153370 0.85 CCND1 (0.55) CCND1CDK2CCNE1CDK6CDK4

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 7 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
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 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 (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 CCND1 27/4885CDK2 2/4885CCNE1 52/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CCND1 35/4885CDK2 2/4885CCNE1 54/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CCND1 34/4885CDK2 2/4885CCNE1 54/4885

“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.