SCHEMBL4833267

SCHEMBL4833267

C[S+]([O-])c1ncc2cc(Cc3ccccc3)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 16/20 0.53
CDK4 P11802 11/20 0.53
CTSK P43235 2/20 0.46
CTSS P25774 1/20 0.46
CDK2 P24941 12/20 0.44
CCNA2 P20248 3/20 0.44
CCNE1 P24864 9/20 0.42
CDK6 Q00534 7/20 0.42
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
RB1 P06400 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL13554037 0.91 CTSS (0.48) CCND1CDK4CTSKCTSSCDK2
SCHEMBL4835866 0.86 CCND1 (0.54) CCND1CDK4CDK2CCNA2CCNE1
SCHEMBL4828721 0.83 CCND1 (0.42) CCND1CDK4CDK2CCNA2CCNE1
SCHEMBL4826059 0.82 CCND1 (0.57) CCND1CDK4CDK2CCNA2CCNE1
SCHEMBL5900474 0.82 CCND1 (0.65) CCND1CDK4CDK2CCNA2CCNE1
SCHEMBL5900457 0.82 CCND1 (0.44) CCND1CDK4CTSKCTSSCDK2
SCHEMBL5900431 0.82 CYP1A2 (0.56) CCND1CDK4CTSKCTSSCDK2
SCHEMBL5900567 0.82 CCND1 (0.55) CCND1CDK4CTSKCTSSCDK2
SCHEMBL5900451 0.82 CDK2 (0.41) CCND1CDK4CDK2CCNA2CCNE1
SCHEMBL5900363 0.82 CDK2 (0.42) CCND1CDK4CDK2CCNA2CCNE1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 US disclosed
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
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones PFIZER INC 2006-06-29 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 (5 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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 CCND1 90/4885CDK4 86/4885CTSK 3952/4885
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CCND1 27/4885CDK4 1/4885CTSK 2003/4885
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones CDK4, CDK2, CCNA1 CCND1 9/4885CDK4 1/4885CTSK 2472/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CCND1 35/4885CDK4 1/4885CTSK 1825/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CCND1 34/4885CDK4 1/4885CTSK 2017/4885

“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.