SCHEMBL4019972

SCHEMBL4019972

OCC(O)COc1nc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3cc(F)ccc3F)c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
LPAR2 Q9HBW0 2/20 0.34
TRPA1 O75762 5/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
SGK1 O00141 1/20 0.33
MAP4K4 O95819 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13764812 1.00 MAPK14 (0.40) MAPK14LPAR2TRPA1METKDR
SCHEMBL4020860 0.80 MAPK14 (0.38) MAPK14LPAR2TRPA1MET
SCHEMBL14019063 0.77 MAPK14 (0.42) MAPK14LPAR2
SCHEMBL4844719 0.77 MAPK14 (0.42) MAPK14LPAR2
SCHEMBL14019095 0.75 MAPK14 (0.39) MAPK14LPAR2TRPA1
SCHEMBL4842510 0.75 MAPK14 (0.39) MAPK14LPAR2TRPA1
SCHEMBL4842334 0.74 MAPK14 (0.38) MAPK14LPAR2TRPA1
SCHEMBL4016857 0.73 MAPK14 (0.40) MAPK14LPAR2TRPA1METMAP4K4
SCHEMBL4016140 0.73 MAPK14 (0.38) MAPK14TRPA1
SCHEMBL4016129 0.73 MAPK14 (0.38) MAPK14TRPA1

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 7 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
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
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 33/4885LPAR2 960/4885TRPA1 4812/4885

“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.