Sugi Predict

Sugi Predict / Compounds / SCHEMBL2903808

SCHEMBL2903808

SCHEMBL2903808

CNc1nc(-c2ccncc2)nc(N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4Cl)ccc32)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.57
▸ ROCK2 O75116 2/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NLRP1 Q9C000 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ DDR1 Q08345 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ MAPK3 P27361 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
SCHEMBL3039558 0.95 EPHX2 (0.61) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL3036133 0.94 EPHX2 (0.60) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL2906992 0.90 EPHX2 (0.55) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL2908406 0.89 EPHX2 (0.54) EPHX2LMNAMAPK1NLRP1TSHR
SCHEMBL3028889 0.89 EPHX2 (0.59) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL2908128 0.88 EPHX2 (0.58) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL2906220 0.87 EPHX2 (0.72) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL3033802 0.87 EPHX2 (0.59) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL3035313 0.85 EPHX2 (0.56) EPHX2ROCK2OPRM1OPRD1OPRK1
SCHEMBL2907081 0.84 EPHX2 (0.53) EPHX2ROCK2LMNAMAPK1NLRP1

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
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 — — US claimed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 — — EP claimed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 — — WO 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
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
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 5/4885ROCK2 396/4885CASP1 3049/4885

“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.