SCHEMBL4833703

SCHEMBL4833703

C[S+]([O-])c1ncc2cc(Br)c(=O)n(-c3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CYP1A2 P05177 13/20 0.39
ALDH1A1 P00352 9/20 0.39
CYP3A4 P08684 6/20 0.39
HSD17B10 Q99714 5/20 0.39
CYP2C9 P11712 5/20 0.39
CASP1 P29466 6/20 0.37
CASP7 P55210 5/20 0.37
CYP2C19 P33261 4/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13553975 0.80 WEE1 (0.38) CDK4CCND1CCNA2CDK2HSD17B10
SCHEMBL4875862 0.79 CDK4 (0.56) CDK4CCND1CCNA2CDK2CYP1A2
SCHEMBL4833398 0.79 CDK4 (0.40) CDK4CCND1CCNA2CDK2CYP1A2
SCHEMBL1680882 0.77 BTK (0.43) CDK4CCND1CCNA2CDK2ALDH1A1
SCHEMBL1982820 0.77 ALDH1A1 (0.39) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C9
SCHEMBL31153370 0.76 CCND1 (0.55) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL4830604 0.76 CCND1 (0.55) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL22200529 0.75 CCND1 (0.49) CDK4CCND1CCNA2CDK2CYP1A2
SCHEMBL4833696 0.75 CCND1 (0.54) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL15216886 0.72 DDR1 (0.39) MEN1KMT2A

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 CDK4 1/4885CCND1 27/4885CCNA2 20/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 35/4885CCNA2 22/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CCND1 34/4885CCNA2 21/4885

“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.