SCHEMBL3533987

SCHEMBL3533987

Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.68
MAPKAPK2 P49137 2/20 0.55
MAPK13 O15264 1/20 0.55
RAF1 P04049 1/20 0.55
PDGFRA P16234 1/20 0.55
MAPK12 P53778 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAPK11 Q15759 1/20 0.55
LCK P06239 3/20 0.54
KDR P35968 3/20 0.54
KIT P10721 2/20 0.54
RIPK2 O43353 3/20 0.47
CSF1R P07333 1/20 0.47
BRPF1 P55201 1/20 0.47
CREBBP Q92793 1/20 0.47
CECR2 Q9BXF3 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
BRD7 Q9NPI1 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3536822 0.84 MAPK14 (0.69) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL3820449 0.82 MAPK14 (0.66) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL3534015 0.81 MAPK14 (1.00) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL3667970 0.76 MAPK14 (0.68) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL4738344 0.76 RIPK2 (0.52) MAPK14LCKRIPK2
SCHEMBL1313474 0.75 MAPK14 (0.72) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL3535273 0.75 RIPK2 (0.41) MAPK14RIPK2
SCHEMBL1311133 0.73 MAPK14 (0.69) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL1313093 0.73 MAPK14 (0.68) MAPK14MAPKAPK2MAPK13RAF1PDGFRA
SCHEMBL3532368 0.73 MAPK14 (0.86) MAPK14MAPK11LCK

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-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
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
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 MAPK14 44/4885MAPKAPK2 22/4885MAPK13 48/4885

“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.