SCHEMBL4020089

SCHEMBL4020089

CNCc1cc2c(-c3ccccc3Cl)n[nH]c2nc1Oc1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 11/20 0.44
KCNH2 Q12809 7/20 0.44
HTR2A P28223 8/20 0.41
MAPK14 Q16539 5/20 0.38
TRPA1 O75762 2/20 0.38
MAPK11 Q15759 1/20 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
SCHEMBL4019146 0.90 TRPA1 (0.41) MAPK14TRPA1MAPK11
SCHEMBL13764807 0.88 MAPK14 (0.39) MAPK14TRPA1MAPK11
SCHEMBL4015180 0.88 MAPK14 (0.39) MAPK14TRPA1MAPK11
SCHEMBL4014032 0.85 TRPA1 (0.45) MAPK14TRPA1
SCHEMBL5097216 0.85 MAPK14 (0.42) MAPK14TRPA1MAPK11
SCHEMBL4012736 0.85 BRD4 (0.38) MAPK14TRPA1
SCHEMBL4021743 0.84 BRD4 (0.40) SLC6A4KCNH2MAPK14
SCHEMBL4020081 0.84 TRPA1 (0.42) MAPK14TRPA1MAPK11
SCHEMBL4015352 0.84 TRPA1 (0.41) MAPK14TRPA1MAPK11
SCHEMBL4015460 0.82 MAPK14 (0.39) 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 9 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
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

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 SLC6A2 2931/4885SLC6A3 3539/4885SLC6A4 3777/4885

“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.