SCHEMBL4902177

SCHEMBL4902177

Cn1c(=O)c(Oc2c(F)cccc2F)cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.48
MAPK8 P45983 12/20 0.47
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK11 Q15759 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
SCHEMBL5120273 0.89 MAPK14 (0.57) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL5115765 0.87 MAPK8 (0.62) MAPK14MAPK8
SCHEMBL5114375 0.85 MAPK14 (0.58) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL29829634 0.83 MAPK14 (0.69) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL2297482 0.83 MAPK14 (0.69) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL5121012 0.83 MAPK14 (0.56) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL5107470 0.83 MAPK14 (0.55) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL14039072 0.83 MAPK8 (0.52) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL5114115 0.81 MAPK14 (0.48) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL5116393 0.81 MAPK14 (0.56) MAPK14MAPK8MAPK9MAPK10MAPK11

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 19 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-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
EP-1539755-B1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 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-7196097-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-03-27 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
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2006-12-07 US disclosed
US-6965030-B2 6-alkoxy-pyrido-pyridine ROCHE PALO ALTO LLC (US) 2005-11-15 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-20040038999-A1 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC 2004-02-26 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MAPK14 4250/4885MAPK8 3523/4885MAPK9 1204/4885
US-20040038999-A1 6-alkoxy-pyrido-pyrimidines CYP2B6, CYP2D6, CNR1 MAPK14 4498/4885MAPK8 4373/4885MAPK9 4140/4885
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines PDXK, PNPO, CYP2D6 MAPK14 4426/4885MAPK8 4307/4885MAPK9 3618/4885
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 MAPK14 64/4885MAPK8 3/4885MAPK9 59/4885
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines CCNO, PNPO, CYP2B6 MAPK14 4565/4885MAPK8 4288/4885MAPK9 4207/4885

“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.