SCHEMBL4246004

SCHEMBL4246004

N#Cc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.67
PDPK1 O15530 3/20 0.61
PTGS1 P23219 5/20 0.54
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 0.49
CYP11B2 P19099 1/20 0.49

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
SCHEMBL7319101 0.84 PTGS2 (0.74) PTGS2PDPK1PTGS1
SCHEMBL4248391 0.81 PTGS2 (0.70) PTGS2PDPK1PTGS1
SCHEMBL4251818 0.80 PTGS2 (0.69) PTGS2PDPK1PTGS1
SCHEMBL6339092 0.80 PTGS2 (1.00) PTGS2PDPK1PTGS1
SCHEMBL5148804 0.79 PTGS2 (0.66) PTGS2PDPK1PTGS1
SCHEMBL5148756 0.79 PTGS2 (0.66) PTGS2PDPK1PTGS1
SCHEMBL4253189 0.79 PTGS2 (0.67) PTGS2PDPK1PTGS1
SCHEMBL4252798 0.79 EPHX2 (0.61) PTGS2CHRNB2CHRNA5CHRNA4CYP11B2
SCHEMBL4253931 0.78 PTGS2 (0.66) PTGS2PDPK1PTGS1
SCHEMBL16876774 0.78 RPA1 (0.60) CHRNB2CHRNA5CHRNA4CYP11B2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX PTGS2 158/4885PDPK1 1947/4885PTGS1 81/4885

“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.