SCHEMBL4014906

SCHEMBL4014906

CC(C)n1c(=O)c(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK14 Q16539 9/20 0.37
BRD4 O60885 2/20 0.36
TRPA1 O75762 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK8 P45983 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL4011943 0.82 MAPK14 (0.40) NPBWR1MCHR1MAPK14LPAR2
SCHEMBL4013814 0.77 TRPA1 (0.41) MAPK14TRPA1MAPK11MAPK13MAPK12
SCHEMBL4014032 0.76 TRPA1 (0.45) MAPK14TRPA1
SCHEMBL5097216 0.76 MAPK14 (0.42) MAPK14TRPA1MAPK11
SCHEMBL4013991 0.76 MAPK14 (0.49) NPBWR1MCHR1MAPK14BRD4MAPK11
SCHEMBL4020081 0.75 TRPA1 (0.42) MAPK14TRPA1MAPK11
SCHEMBL4015352 0.75 TRPA1 (0.41) MAPK14TRPA1MAPK11LPAR2
SCHEMBL4015460 0.75 MAPK14 (0.39) MAPK14TRPA1MAPK11MAPK13MAPK12
SCHEMBL4019146 0.75 TRPA1 (0.41) MAPK14TRPA1MAPK11LPAR2
SCHEMBL4014023 0.75 MAPK14 (0.48) MAPK14BRD4MAPK8LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP claimed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US claimed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO claimed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (1 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 NPBWR1 3007/4885MCHR1 4032/4885MAPK14 33/4885

“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.