SCHEMBL3532368

SCHEMBL3532368

CNC(=O)c1ccc(C)c(-c2cc3cnc(NC4CCOCC4)nc3n(C)c2=O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.86
LCK P06239 1/20 0.63
MAPK8 P45983 4/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 2/20 0.53
MAPK1 P28482 2/20 0.53
GAK O14976 1/20 0.53
RPS6KA4 O75676 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
CSNK1D P48730 1/20 0.53
RPS6KA3 P51812 1/20 0.53
DDR1 Q08345 1/20 0.53
MAPK11 Q15759 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
COQ8A Q8NI60 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
STK36 Q9NRP7 1/20 0.53
NLK Q9UBE8 1/20 0.53
BRAF P15056 1/20 0.49

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
SCHEMBL3534015 0.92 MAPK14 (1.00) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3533345 0.92 MAPK14 (0.84) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3533914 0.91 MAPK14 (0.82) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3530735 0.90 MAPK14 (0.80) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3534343 0.88 MAPK14 (0.77) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3531733 0.85 MAPK14 (0.73) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3533280 0.82 MAPK14 (0.69) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3532251 0.82 MAPK14 (0.68) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3534149 0.80 MAPK14 (0.65) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3533846 0.80 MAPK14 (0.65) MAPK14LCKMAPK8MAPK9MAPK10

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 claimed
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 MAPK14 44/4885LCK 122/4885MAPK8 31/4885

“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.