SCHEMBL5115765

SCHEMBL5115765

Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.62
RIPK2 O43353 8/20 0.46
NOD2 Q9HC29 8/20 0.46
ACVR1 Q04771 3/20 0.46
FGFR1 P11362 7/20 0.45
EGFR P00533 5/20 0.45
SRC P12931 2/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
MAPK14 Q16539 1/20 0.42

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
SCHEMBL5109467 0.89 MAPK8 (0.52) MAPK8RIPK2NOD2ACVR1FGFR1
SCHEMBL4902177 0.87 MAPK14 (0.48) MAPK8MAPK14
SCHEMBL5113605 0.83 MAPK14 (0.45) MAPK8RIPK2NOD2MAPK14
SCHEMBL5107470 0.83 MAPK14 (0.55) MAPK8RIPK2NOD2ACVR1MAPK14
SCHEMBL29498171 0.81 FGFR1 (0.69) RIPK2NOD2ACVR1FGFR1EGFR
SCHEMBL3762584 0.81 FGFR1 (0.69) RIPK2NOD2ACVR1FGFR1EGFR
SCHEMBL5114375 0.81 MAPK14 (0.58) MAPK8RIPK2NOD2MAPK14
SCHEMBL5120273 0.80 MAPK14 (0.57) MAPK8MAPK14
SCHEMBL14280044 0.80 FGFR1 (0.41) MAPK8RIPK2NOD2ACVR1FGFR1
SCHEMBL31635903 0.79 RIPK2 (0.45) RIPK2NOD2ACVR1FGFR1EGFR

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
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 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 (2 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-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 MAPK8 3523/4885RIPK2 2589/4885NOD2 1781/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 MAPK8 3/4885RIPK2 458/4885NOD2 165/4885

“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.