SCHEMBL4333704

SCHEMBL4333704

NC(=O)c1nc(-c2cccc(-c3cc(F)cc(F)c3-c3cccc(F)c3)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.40
FYN P06241 1/20 0.39
HPGDS O60760 1/20 0.39
CHEK2 O96017 2/20 0.38
AOC3 Q16853 2/20 0.37
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL4328489 0.91 CHEK2 (0.40) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4320122 0.86 XPO1 (0.43) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4314927 0.86 XPO1 (0.44) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4327229 0.83 SCN9A (0.42) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4320588 0.82 CHEK2 (0.42) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4320141 0.82 CHEK2 (0.42) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4324627 0.81 NPC1 (0.42) XPO1FYNAOC3PARP1NPC1
SCHEMBL4326411 0.81 NPC1 (0.40) XPO1FYNCHEK2AOC3PLK4
SCHEMBL4323190 0.80 CHEK2 (0.42) XPO1FYNHPGDSCHEK2AOC3
SCHEMBL4481507 0.80 SCN9A (0.51) XPO1FYNAOC3SCN9A

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 XPO1 2021/4885FYN 1950/4885HPGDS 3218/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A XPO1 2120/4885FYN 1853/4885HPGDS 3214/4885

“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.