SCHEMBL4248891

SCHEMBL4248891

N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4nccs4)cc3C(F)(F)F)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.54
GRM5 P41594 7/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
RXFP1 Q9HBX9 1/20 0.38
SLC2A1 P11166 1/20 0.37
SLC2A3 P11169 1/20 0.37
SLC2A4 P14672 1/20 0.37

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
SCHEMBL4245839 0.88 EPHX2 (0.56) EPHX2GRM5RXFP1
SCHEMBL4252925 0.84 EPHX2 (0.78) EPHX2GRM5
SCHEMBL4246247 0.83 EPHX2 (0.57) EPHX2GRM5
SCHEMBL13702361 0.82 EPHX2 (0.51) EPHX2GRM5RXFP1
SCHEMBL13701889 0.81 EPHX2 (0.71) EPHX2GRM5
SCHEMBL4251778 0.80 EPHX2 (0.56) EPHX2GRM5
SCHEMBL4257104 0.80 EPHX2 (0.55) EPHX2GRM5RXFP1
SCHEMBL4250822 0.79 EPHX2 (0.54) EPHX2GRM5
SCHEMBL13701899 0.77 EPHX2 (0.48) EPHX2GRM5ADORA2A
SCHEMBL4247321 0.73 EPHX2 (0.83) EPHX2

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 4 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
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 EPHX2 2/4885GRM5 3803/4885ADORA2A 3585/4885

“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.