SCHEMBL4484659

SCHEMBL4484659

Cc1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.52
SCN9A Q15858 6/20 0.50
TRPM8 Q7Z2W7 2/20 0.48
TRPV1 Q8NER1 1/20 0.44
BACE1 P56817 1/20 0.42
HSD11B1 P28845 3/20 0.42
BRD4 O60885 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13754837 0.87 TRPA1 (0.50) TRPA1SCN9ATRPM8HSD11B1BRD4
SCHEMBL4489557 0.86 CYP2C9 (0.44) TRPA1SCN9ACYP1A2CYP2C9
SCHEMBL21291475 0.81 SCN9A (0.59) TRPA1SCN9ATRPM8BACE1HSD11B1
SCHEMBL1400156 0.81 SCN9A (0.60) TRPA1SCN9ABRD4CYP2C9
SCHEMBL13754839 0.80 BRD4 (0.53) SCN9ABRD4
SCHEMBL26369951 0.79 SCN9A (0.51) TRPA1SCN9ATRPM8TRPV1BACE1
SCHEMBL13761976 0.79 ADORA2A (0.54) BRD4CYP1A2CYP2C9
SCHEMBL4488075 0.79 SCN9A (0.62) TRPA1SCN9ATRPM8BACE1CYP2C9
SCHEMBL4559050 0.75 SCN9A (0.56) TRPA1SCN9ATRPM8BACE1CYP1A2
SCHEMBL4324382 0.74 SCN9A (0.57) TRPA1SCN9ATRPM8CYP2C9

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 15 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
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
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-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-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
EP-1606269-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-12-21 EP disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 US disclosed
WO-2004083189-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-09-30 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 (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 TRPA1 10/4885SCN9A 56/4885TRPM8 94/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 TRPA1 8/4885SCN9A 67/4885TRPM8 95/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B TRPA1 10/4885SCN9A 56/4885TRPM8 94/4885

“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.