SCHEMBL4014032

SCHEMBL4014032

COc1cc2c(-c3ccccc3Cl)n[nH]c2nc1Oc1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 6/20 0.41
THRB P10828 1/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39

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
SCHEMBL5097216 0.90 MAPK14 (0.42) TRPA1MAPK14GSK3AGSK3BSCN9A
SCHEMBL4017988 0.90 TRPA1 (0.39) TRPA1L3MBTL1MAPK14EGFRCTSA
SCHEMBL4020081 0.89 TRPA1 (0.42) TRPA1MAPK14PDE10A
SCHEMBL4015352 0.89 TRPA1 (0.41) TRPA1MAPK14SCN9A
SCHEMBL4017429 0.86 SCN9A (0.39) TRPA1MAPK14CTSASCN9A
SCHEMBL4015460 0.86 MAPK14 (0.39) TRPA1MAPK14SCN9A
SCHEMBL4019146 0.86 TRPA1 (0.41) TRPA1MAPK14CTSA
SCHEMBL4020089 0.85 SLC6A2 (0.45) TRPA1MAPK14
SCHEMBL4016504 0.85 MAPK14 (0.41) TRPA1MAPK14CTSASCN9A
SCHEMBL4015213 0.85 MAPK14 (0.45) TRPA1MAPK14NTRK1MAPK1MAPK9

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 TRPA1 4812/4885L3MBTL1 727/4885MAPK14 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.