SCHEMBL3535273

SCHEMBL3535273

Cc1ccc(C#N)cc1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.41
NOD2 Q9HC29 8/20 0.41
ACVR1 Q04771 4/20 0.41
WEE1 P30291 3/20 0.38
SRC P12931 2/20 0.38
MAPK14 Q16539 1/20 0.38
ABL1 P00519 1/20 0.37
TDP2 O95551 1/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL4738344 0.82 RIPK2 (0.52) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL3533803 0.82 WEE1 (0.39) RIPK2ACVR1WEE1SRCMAPK14
SCHEMBL27781139 0.79 WEE1 (0.37) WEE1SRCMAPK14ABL1TDP2
SCHEMBL26517190 0.77 RIPK2 (0.48) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL31426289 0.76 BRD4 (0.42) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL29498198 0.76 RIPK2 (0.65) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20564933 0.76 RIPK2 (0.65) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL4083936 0.75 RIPK2 (0.65) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL30837130 0.75 ABL1 (0.52) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20563978 0.75 ABL1 (0.52) RIPK2NOD2ACVR1WEE1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
CN-101535308-A Substituted 6-phenyl-pyrido [2,3-D] pyrimidin-7-one derivatives as kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2009-09-16 CN disclosed
EP-2094698-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D]PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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 (1 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-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide MAP3K6, MAP3K1, MAP3K2 RIPK2 321/4885NOD2 2127/4885ACVR1 2200/4885

“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.