SCHEMBL2415435

SCHEMBL2415435

Nc1cnc(-c2cc(Cl)ccc2Cl)c(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.67
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.40
AGPAT2 O15120 1/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
DHFR P00374 2/20 0.37
RAB9A P51151 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL2415584 0.80 SCN2A (0.51) SCN2ASCN10ATP53TSHRALDH1A1
Elpetrigine SCHEMBL978547 0.80 SCN2A (1.00) SCN2ASCN10AALDH1A1ADORA2APTPN11
SCHEMBL2421429 0.79 SCN2A (0.57) SCN2ASCN10AADORA2APTPN11
SCHEMBL5512633 0.78 SCN2A (0.59) SCN2ASCN10APTPN11KCNH2
SCHEMBL3077316 0.77 SCN2A (0.51) SCN2AAGPAT2ALDH1A1DHFRKDM4E
Elpetrigine SCHEMBL3065529 0.75 SCN2A (0.88) SCN2ASCN10AADORA2APTPN11KCNH2
SCHEMBL7059614 0.75 SCN10A (0.53) SCN2AHTR2BPDE4DSCN10AALDH1A1
SCHEMBL3701926 0.75 SCN10A (0.57) SCN2AHTR2BPDE4DSCN10AAGPAT2
SCHEMBL263262 0.74 SCN10A (0.56) SCN2AHTR2BPDE4DSCN10AAGPAT2
SCHEMBL976695 0.73 SCN2A (0.62) SCN2ASCN10APTPN11KCNH2

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 11 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 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
EP-0966448-B1 PYRAZINE COMPOUNDS GLAXO GROUP LTD (GB) 2003-10-01 EP disclosed
US-6599905-B2 Phenyl or naphthyl-pyrazine compounds useful in the treatment of central nervous system diseases SMITHKLINE BEECHAM CORPORATION 2003-07-29 US disclosed
US-20020169172-A1 Pyrazine compounds GLAXO WELLCOME INC. 2002-11-14 US disclosed
US-6255307-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS GLAXO WELLCOME, INC. 2001-07-03 US disclosed
EP-0966448-A1 PYRAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-12-29 EP disclosed
WO-1998038174-A1 PYRAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1998-09-03 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 (2 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 SCN2A 44/4885HTR2B 443/4885PDE4D 697/4885
US-20020169172-A1 Pyrazine compounds HCRTR1, HCRTR2, GRIN2C SCN2A 92/4885HTR2B 157/4885PDE4D 2669/4885

“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.