Sugi Predict

Sugi Predict / Compounds / SCHEMBL3095874

SCHEMBL3095874

SCHEMBL3095874

Nc1nc(NC(=O)c2conc2C(F)(F)F)cnc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.60
▸ SCN9A Q15858 3/20 0.60
▸ SCN5A Q14524 1/20 0.60
▸ SCN2A Q99250 1/20 0.60
▸ SCN3A Q9NY46 1/20 0.60
▸ ATR Q13535 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KIT P10721 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ UGCG Q16739 1/20 0.33
▸ XPO1 O14980 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ EPAS1 Q99814 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
SCHEMBL3081825 0.90 SCN10A (0.51) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3084088 0.89 SCN10A (0.75) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3095810 0.86 SCN10A (0.59) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL263291 0.86 SCN10A (0.79) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3633454 0.81 SCN10A (0.48) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3072133 0.80 SCN10A (0.64) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL263240 0.78 SCN10A (0.65) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3082318 0.77 SCN10A (0.67) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3088759 0.77 SCN10A (0.48) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL3077292 0.77 SCN10A (0.61) SCN10ASCN9ASCN5ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 — — US claimed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 — — EP claimed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 — — WO claimed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 — — US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 — — US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 — — 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 (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-20100227872-A1 PYRAZINE DERIVATIVES CYP3A5, TRPV5, TRPV1 SCN10A 278/4885SCN9A 925/4885SCN5A 13/4885

“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.