SCHEMBL4013208

SCHEMBL4013208

CS(=O)(=O)NCCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccc(F)cc3F)c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK11 Q15759 1/20 0.45
MAPK8 P45983 2/20 0.44
LPAR2 Q9HBW0 1/20 0.37
PTGS2 P35354 1/20 0.35
TDO2 P48775 1/20 0.35
BRD4 O60885 2/20 0.35

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
SCHEMBL4021362 0.94 MAPK14 (0.51) MAPK14MAPK11MAPK8LPAR2PTGS2
SCHEMBL4833043 0.90 MAPK14 (0.48) MAPK14MAPK11MAPK8LPAR2PTGS2
SCHEMBL4012451 0.89 MAPK14 (0.58) MAPK14MAPK11MAPK8LPAR2TDO2
SCHEMBL4495087 0.84 MAPK14 (0.64) MAPK14MAPK11MAPK8LPAR2PTGS2
SCHEMBL4016543 0.83 MAPK14 (0.44) MAPK14MAPK11LPAR2BRD4
SCHEMBL4015105 0.82 MAPK14 (0.57) MAPK14MAPK11MAPK8LPAR2TDO2
SCHEMBL13769209 0.82 MAPK14 (0.45) MAPK14MAPK11MAPK8LPAR2BRD4
SCHEMBL13764811 0.82 MAPK14 (0.45) MAPK14MAPK11MAPK8LPAR2PTGS2
SCHEMBL4833006 0.81 MAPK14 (0.43) MAPK14MAPK11MAPK8LPAR2
SCHEMBL14018955 0.81 MAPK14 (0.44) MAPK14MAPK11MAPK8PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US claimed
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 MAPK14 33/4885MAPK11 46/4885MAPK8 19/4885

“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.