SCHEMBL2906841

SCHEMBL2906841

CNc1nc(-c2ccccc2)nc(N2Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)cc3C2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.52
CYP2C9 P11712 2/20 0.49
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN9A Q15858 3/20 0.45
PPARG P37231 2/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NTRK1 P04629 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL3025646 0.94 EPHX2 (0.51) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL2906932 0.91 EPHX2 (0.63) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL13218638 0.89 EPHX2 (0.59) EPHX2CYP2C9ROCK2ROCK1CYP3A4
Trifluoroacetic Acid SCHEMBL2906799 0.88 EPHX2 (0.57) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL2908998 0.87 EPHX2 (0.64) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2922679 0.87 ROCK2 (0.46) EPHX2ROCK2ROCK1SCN9APPARG
SCHEMBL2901208 0.86 EPHX2 (0.58) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL13239013 0.86 EPHX2 (0.49) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL3034324 0.85 EPHX2 (0.65) EPHX2CYP2C9ROCK2ROCK1CYP3A4
SCHEMBL3019499 0.85 EPHX2 (0.62) EPHX2CYP2C9ROCK2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US claimed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE EPHX1, NCEH1, FAH EPHX2 5/4885CYP2C9 157/4885ROCK2 396/4885

“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.