SCHEMBL4173536

SCHEMBL4173536

CSc1ncc2cc(Oc3ccccc3F)c(=O)n(C3CC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.52
MAPK8 P45983 7/20 0.42
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
GAK O14976 1/20 0.41
RPS6KA4 O75676 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MAPK10 P53779 1/20 0.41
DDR1 Q08345 1/20 0.41
MAPK11 Q15759 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
COQ8A Q8NI60 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41

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
SCHEMBL14014133 0.88 MAPK14 (0.49) MAPK14MAPK8USP2CYP1A2MAPK1
SCHEMBL14038840 0.84 MAPK14 (0.55) MAPK14MAPK8USP2CYP1A2MAPK1
SCHEMBL5107331 0.84 MAPK14 (0.58) MAPK14MAPK8MAPK1GAKRPS6KA4
SCHEMBL4171237 0.83 MAPK14 (0.51) MAPK14MAPK8USP2CYP1A2MAPK1
SCHEMBL30640284 0.82 MAPK14 (0.58) MAPK14MAPK8MAPK1GAKRPS6KA4
SCHEMBL30640295 0.81 MAPK14 (0.61) MAPK14MAPK8MAPK1GAKRPS6KA4
SCHEMBL5114845 0.80 MAPK14 (0.44) MAPK14MAPK8USP2CYP1A2MAPK1
SCHEMBL22126428 0.77 MAPK14 (0.49) MAPK14MAPK8MAPK1GAKRPS6KA4
SCHEMBL22126430 0.77 MAPK14 (0.49) MAPK14MAPK8MAPK1GAKRPS6KA4
SCHEMBL4828553 0.77 CCND1 (0.48)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 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-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 (3 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 3523/4885USP2 4290/4885
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 MAPK14 1323/4885MAPK8 2442/4885USP2 4493/4885
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 3/4885USP2 2502/4885

“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.