SCHEMBL4249803

SCHEMBL4249803

Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.63
PIM1 P11309 1/20 0.41
PTGS2 P35354 1/20 0.40
USP8 P40818 1/20 0.39
ALOX5 P09917 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2A6 P11509 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PTK2 Q05397 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LDHA P00338 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4250848 0.87 EPHX2 (0.62) EPHX2PIM1PTGS2USP8ALOX5
SCHEMBL4249800 0.85 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4247381 0.84 EPHX2 (0.62) EPHX2PTGS2USP8ALOX5TBXAS1
SCHEMBL4249881 0.84 EPHX2 (0.62) EPHX2PTGS2USP8ALOX5TBXAS1
SCHEMBL4252890 0.81 EPHX2 (0.64) EPHX2PTGS2USP8ALOX5TBXAS1
SCHEMBL14409476 0.80 EPHX2 (0.64) EPHX2PTGS2USP8ALOX5TBXAS1
SCHEMBL14507636 0.79 EPHX2 (0.73) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246786 0.78 EPHX2 (0.58) EPHX2PTGS2HSP90AA1
SCHEMBL4389540 0.78 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507338 0.78 EPHX2 (0.52) EPHX2USP8KDM4ECYP2A6HSP90AA1

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 3 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
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

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 2/4885PIM1 3230/4885PTGS2 158/4885

“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.