Sugi Predict

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SCHEMBL2903672

SCHEMBL2903672

CNc1nc(N2CCN(C)CC2)nc(N2CCCc3cc(C(=O)NCc4ccc(F)c(F)c4)ccc32)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.70
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ IDO1 P14902 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.39

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
SCHEMBL2907107 0.89 EPHX2 (0.75) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2906220 0.83 EPHX2 (0.72) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2904309 0.83 EPHX2 (0.72) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3030914 0.83 EPHX2 (1.00) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2904290 0.81 EPHX2 (0.78) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2907037 0.81 EPHX2 (0.80) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3037733 0.78 EPHX2 (0.86) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13218652 0.78 EPHX2 (0.65) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3025123 0.77 EPHX2 (0.91) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13218653 0.77 EPHX2 (0.74) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19

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 5/4885CYP2C9 157/4885CYP3A4 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.