SCHEMBL4833532

SCHEMBL4833532

Cc1cc(=O)n(C2CCCC2)c2nc([S+](C)[O-])ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.52
CCND1 P24385 17/20 0.52
CCND2 P30279 17/20 0.52
CCND3 P30281 17/20 0.52
NUAK1 O60285 2/20 0.50
MARK3 P27448 1/20 0.50
MARK2 Q7KZI7 1/20 0.50
MARK4 Q96L34 1/20 0.50
NUAK2 Q9H093 1/20 0.50
MARK1 Q9P0L2 1/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38

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
SCHEMBL6943043 0.87 CDK4 (0.50) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL10050882 0.84 CDK4 (0.38) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL27393299 0.82 CDK4 (0.57) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL2969552 0.80 CDK4 (0.55) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL4828668 0.80 CDK2 (0.53) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4832622 0.79 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL29615723 0.79 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6943809 0.79 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL2074839 0.79 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24654535 0.79 CDK4 (0.57) CDK4CCND1CCND2CCND3NUAK1

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
CN-107903259-B Preparation method of palbociclib intermediate 浙江工业大学 2020-03-17 CN claimed
CN-107903259-B Preparation method of palbociclib intermediate 浙江工业大学 2020-03-17 CN disclosed
CN-107903259-B Preparation method of palbociclib intermediate 浙江工业大学 2020-03-17 CN 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
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
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 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 27/4885CCND2 33/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 35/4885CCND2 37/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CCND1 34/4885CCND2 35/4885

“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.