Sugi Predict

Sugi Predict / Compounds / SCHEMBL4328489

SCHEMBL4328489

SCHEMBL4328489

NC(=O)c1nc(-c2ccc(F)c(-c3cc(F)cc(F)c3-c3cccc(F)c3)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ XPO1 O14980 1/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ NQO2 P16083 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PARP1 P09874 3/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ ICMT O60725 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ CDC7 O00311 1/20 0.33

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
SCHEMBL4333704 0.91 XPO1 (0.40) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL4320141 0.88 CHEK2 (0.42) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL4320588 0.88 CHEK2 (0.42) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL4323190 0.86 CHEK2 (0.42) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL4320150 0.82 AOC3 (0.40) CHEK2FYNAOC3NPC1RAB9A
SCHEMBL4324627 0.81 NPC1 (0.42) FYNXPO1AOC3NPC1RAB9A
SCHEMBL13993218 0.80 AOC3 (0.40) AOC3
SCHEMBL4320122 0.79 XPO1 (0.43) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL4314927 0.79 XPO1 (0.44) CHEK2FYNXPO1AOC3HPGDS
SCHEMBL27687671 0.78 MAP2 (0.41) CHEK2FYNXPO1AOC3HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 — — US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 — — US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 — — US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 — — US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 — — EP disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 — — US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 — — 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 (2 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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A CHEK2 4325/4885FYN 1950/4885XPO1 2021/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A CHEK2 4302/4885FYN 1853/4885XPO1 2120/4885

“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.