SCHEMBL5114845

SCHEMBL5114845

CSc1ncc2cc(Oc3ccccc3F)c(=O)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
MAPK8 P45983 9/20 0.41
CYP1A2 P05177 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 3/20 0.40
USP2 O75604 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.38
RPS6KA4 O75676 2/20 0.38
MAPK9 P45984 2/20 0.38
RPS6KA3 P51812 2/20 0.38

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
SCHEMBL14014142 0.88 MAPK14 (0.41) MAPK14MAPK8CYP1A2CASP1CASP7
SCHEMBL5107331 0.85 MAPK14 (0.58) MAPK14MAPK8MAPK1RPS6KA4MAPK9
SCHEMBL14038798 0.84 MAPK14 (0.43) MAPK14MAPK8CYP1A2CASP1CASP7
SCHEMBL5113615 0.82 BRD4 (0.44) MAPK14MAPK8CYP1A2CASP1CASP7
SCHEMBL30640276 0.81 MAPK14 (0.50) MAPK14MAPK8MAPK1RPS6KA4MAPK9
SCHEMBL4173536 0.80 MAPK14 (0.52) MAPK14MAPK8CYP1A2ALDH1A1MAPK1
SCHEMBL14014098 0.78 MAPK14 (0.70) MAPK14MAPK8MAPK1RPS6KA4MAPK9
SCHEMBL29830087 0.78 MAPK14 (0.70) MAPK14MAPK8MAPK1RPS6KA4MAPK9
SCHEMBL22719087 0.77 LYN (0.46) MAPK14CYP1A2CASP1CASP7HSD17B10
SCHEMBL29535579 0.77 LYN (0.46) MAPK14CYP1A2CASP1CASP7HSD17B10

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-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 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 (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 3523/4885CYP1A2 921/4885
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 3/4885CYP1A2 864/4885

“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.