SCHEMBL4017782

SCHEMBL4017782

OCC(CO)Nc1nc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccc(F)cc3F)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
AXL P30530 5/20 0.36
TYRO3 Q06418 5/20 0.36
MERTK Q12866 5/20 0.36
MET P08581 4/20 0.36
LPAR2 Q9HBW0 2/20 0.35
MAPK11 Q15759 2/20 0.34
ALPL P05186 3/20 0.34
NTRK1 P04629 1/20 0.33
RPS6KA4 O75676 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1E P49674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAPK10 P53779 1/20 0.33
NLK Q9UBE8 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL4020860 0.93 MAPK14 (0.38) MAPK14AXLTYRO3MERTKMET
SCHEMBL4021724 0.83 MAPK14 (0.39) MAPK14AXLTYRO3MERTKMET
SCHEMBL4844872 0.83 MAPK14 (0.46) MAPK14AXLTYRO3MERTKMET
SCHEMBL4837289 0.79 MAPK14 (0.42) MAPK14AXLTYRO3MERTKMET
SCHEMBL14019052 0.79 MAPK14 (0.45) MAPK14AXLTYRO3MERTKMET
SCHEMBL4016857 0.77 MAPK14 (0.40) MAPK14AXLTYRO3MERTKMET
SCHEMBL4018020 0.77 MAPK14 (0.39) MAPK14AXLTYRO3MERTKMET
SCHEMBL4840209 0.77 MAPK14 (0.43) MAPK14AXLTYRO3MERTKMET
SCHEMBL4014509 0.75 TRPA1 (0.36) MAPK14AXLTYRO3MERTKMET
SCHEMBL4014520 0.75 TRPA1 (0.36) MAPK14AXLTYRO3MERTKMET

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 MAPK14 33/4885AXL 3403/4885TYRO3 1406/4885

“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.