Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087220

SCHEMBL3087220

SCHEMBL3087220

CCOc1ccc(OC(F)(F)F)c(-c2ncc(NC(=O)c3ccnn3C)nc2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 11/20 0.58
▸ SCN5A Q14524 2/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ SCN1A P35498 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL262687 0.88 SCN10A (0.72) SCN10ASCN5ASCN9ASCN1ATAS1R3
SCHEMBL3630599 0.88 SCN10A (0.64) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL3077194 0.87 SCN10A (0.60) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL3093195 0.83 SCN10A (0.58) SCN10ASCN5ASCN9ASMN1; SMN2SCN2A
SCHEMBL262795 0.79 SCN10A (0.75) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL3082118 0.78 SCN10A (0.59) SCN10ASCN5ASCN9ASMN1; SMN2SCN2A
SCHEMBL2410516 0.77 SCN10A (0.75) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL14237517 0.76 SCN10A (0.79) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL264424 0.75 SCN10A (0.81) SCN10ASCN5ASCN9ASCN1AMAP4K1
SCHEMBL14237441 0.75 SCN10A (0.81) SCN10ASCN5ASCN9ASCN1ATAS1R3

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-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
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 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 278/4885SCN5A 13/4885SCN9A 925/4885

“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.