SCHEMBL5116423

SCHEMBL5116423

Nn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(SCc3ccccc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.46
▸ MAPK8 P45983 12/20 0.44
▸ RPS6KA4 O75676 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ MAPK11 Q15759 2/20 0.43
▸ NLK Q9UBE8 2/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ GAK O14976 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.42
▸ COQ8A Q8NI60 1/20 0.42
▸ PRKD2 Q9BZL6 1/20 0.42
▸ STK36 Q9NRP7 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
SCHEMBL5110605 0.86 MAPK14 (0.46) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL5122277 0.84 MAPK14 (0.53) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL5112933 0.83 MAPK14 (0.47) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL5112271 0.82 MAPK14 (0.45) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL5121127 0.79 MAPK14 (0.52) MAPK14MAPK8MAPK1
SCHEMBL29593402 0.79 MAPK14 (0.52) MAPK14MAPK8MAPK1
SCHEMBL14014098 0.72 MAPK14 (0.70) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL29830087 0.72 MAPK14 (0.70) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL14014389 0.71 MAPK14 (0.61) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL14015010 0.71 MAPK8 (0.81) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3

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 13 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-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-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
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
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 (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 MAPK14 4250/4885MAPK8 3523/4885RPS6KA4 1182/4885
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 3/4885RPS6KA4 925/4885

“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.

Send feedback