SCHEMBL4497875

SCHEMBL4497875

CCNC(=O)c1ncn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.65
SCN10A Q9Y5Y9 1/20 0.52
ABL1 P00519 2/20 0.46
GRM5 P41594 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4612192 0.90 SCN9A (0.54) SCN9ASCN10AGRM5MAPTTP53
SCHEMBL4492628 0.89 SCN9A (0.57) SCN9ASCN10AGRM5MAPTTP53
SCHEMBL4477859 0.86 SCN9A (0.60) SCN9ASCN10AGRM5
SCHEMBL4612818 0.86 SCN9A (0.56) SCN9ASCN10AGRM5
SCHEMBL1400101 0.84 SCN9A (0.69) SCN9ASCN10AGRM5
SCHEMBL14269692 0.78 SCN9A (0.57) SCN9ASCN10AGRM5
SCHEMBL4498041 0.78 SCN9A (0.57) SCN9ASCN10AGRM5
SCHEMBL5928783 0.78 SCN9A (0.52) SCN9ASCN10AGRM5MAPTTP53
SCHEMBL4499658 0.77 SCN9A (0.56) SCN9ASCN10AGRM5
SCHEMBL1400398 0.77 SCN9A (0.57) SCN9ASCN10AGRM5MAPTTP53

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-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 US disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 US 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 (3 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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885SCN10A 68/4885ABL1 1341/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885SCN10A 117/4885ABL1 1816/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885SCN10A 68/4885ABL1 1341/4885

“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.