SCHEMBL4015213

SCHEMBL4015213

Fc1ccc(Oc2nc3[nH]nc(-c4ccccc4Cl)c3cc2OC2CCOCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.45
NTRK1 P04629 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
PDE9A O76083 2/20 0.35
TRPA1 O75762 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
AXL P30530 1/20 0.35
LRRK2 Q5S007 1/20 0.35
GAK O14976 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MAPK10 P53779 1/20 0.34
DDR1 Q08345 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
SCHEMBL4014032 0.85 TRPA1 (0.45) MAPK14NTRK1TRPA1SCN9ALRRK2
SCHEMBL4842360 0.82 MAPK14 (0.46) MAPK14LRRK2
SCHEMBL5097216 0.81 MAPK14 (0.42) MAPK14TRPA1SCN9AMAPK11
SCHEMBL4021743 0.80 BRD4 (0.40) MAPK14DGAT2SCN9A
SCHEMBL4020081 0.80 TRPA1 (0.42) MAPK14TRPA1MAPK11
SCHEMBL4015352 0.80 TRPA1 (0.41) MAPK14TRPA1SCN5ASCN9AMAPK11
SCHEMBL4017988 0.79 TRPA1 (0.39) MAPK14DGAT2TRPA1MAPK11
SCHEMBL4020089 0.79 SLC6A2 (0.45) MAPK14TRPA1MAPK11
SCHEMBL4015460 0.78 MAPK14 (0.39) MAPK14TRPA1SCN5ASCN9AMAPK11
SCHEMBL4019146 0.78 TRPA1 (0.41) MAPK14TRPA1MAPK11

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 33/4885NTRK1 1362/4885DGAT2 2333/4885

“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.