SCHEMBL3533803

SCHEMBL3533803

CSc1ncc2cc(-c3cc(C#N)ccc3C)c(=O)n(C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 7/20 0.39
SRC P12931 5/20 0.39
MAPK14 Q16539 2/20 0.38
TDP2 O95551 1/20 0.37
FGFR1 P11362 4/20 0.37
EGFR P00533 3/20 0.37
FGFR2 P21802 3/20 0.37
FGFR4 P22455 3/20 0.37
FGFR3 P22607 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ABL1 P00519 3/20 0.37
SYK P43405 2/20 0.37
STK4 Q13043 2/20 0.37
STK3 Q13188 2/20 0.37
SIK2 Q9H0K1 2/20 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
SCHEMBL5067103 0.83 SRC (0.44) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL3535273 0.82 RIPK2 (0.41) WEE1SRCMAPK14TDP2FGFR1
SCHEMBL3532457 0.81 WEE1 (0.39) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL3536433 0.80 MAPK14 (0.50) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL3534147 0.80 ABL1 (0.44) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL27781139 0.80 WEE1 (0.37) WEE1SRCMAPK14TDP2FGFR1
SCHEMBL3531198 0.80 MAPK14 (0.51) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL3534444 0.78 MAPK14 (0.48) WEE1SRCMAPK14FGFR1FGFR2
SCHEMBL26517185 0.77 WEE1 (0.45) WEE1SRCMAPK14FGFR1EGFR
SCHEMBL3536439 0.76 BRD4 (0.41) WEE1SRCMAPK14FGFR1EGFR

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 8 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
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US 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
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
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 WEE1 612/4885SRC 455/4885MAPK14 44/4885

“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.