SCHEMBL2416261

SCHEMBL2416261

COc1ccc(Cl)c(-c2ncc(NC(=O)c3conc3C)nc2N)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.75
▸ SCN5A Q14524 2/20 0.49
▸ SCN9A Q15858 2/20 0.49
▸ SCN1A P35498 1/20 0.49
▸ SCN2A Q99250 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ CHRNA7 P36544 2/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KIT P10721 1/20 0.37

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
SCHEMBL2411147 0.89 SCN10A (0.79) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL263118 0.86 SCN10A (1.00) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL2413724 0.85 SCN10A (0.72) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL2415948 0.84 SCN10A (0.54) SCN10ASCN5ASCN9ASCN1ACHRNA7
SCHEMBL2420059 0.84 SCN10A (0.54) SCN10ASCN5ASCN9ASCN1ACHRNA7
SCHEMBL2418091 0.84 SCN10A (0.53) SCN10ASCN5ASCN9ASCN1ACHRNA7
SCHEMBL2418806 0.84 SCN10A (0.53) SCN10ASCN5ASCN9ASCN1ANPC1
SCHEMBL2410050 0.83 SCN10A (0.52) SCN10ASCN5ASCN9ASCN1ACHRNA7
SCHEMBL2413029 0.82 SCN10A (0.80) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL2416115 0.81 SCN10A (0.76) SCN10ASCN5ASCN9ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 — — EP claimed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 — — US claimed
EP-1945630-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-07-23 — — EP claimed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 — — WO claimed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 — — US claimed
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 — — EP disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 — — US disclosed
EP-1945630-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-07-23 — — EP disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 — — WO disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 — — 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-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide P2RX5, P2RX3, AADAC SCN10A 245/4885SCN5A 13/4885SCN9A 161/4885

“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.

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