SCHEMBL2416618

SCHEMBL2416618

COc1cc(Cl)cc(-c2ncc(N)nc2N)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.67
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
AGPAT2 O15120 5/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
G6PD P11413 1/20 0.34
RECQL P46063 1/20 0.34
FGFR4 P22455 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PTPN11 Q06124 2/20 0.33
PLK4 O00444 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 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
Elpetrigine SCHEMBL978547 0.80 SCN2A (1.00) SCN2ASCN10AALDH1A1ADORA2APTPN11
SCHEMBL2416231 0.80 SCN2A (0.48) SCN2ASCN10AHSP90AA1HSP90AB1PTPN11
SCHEMBL263430 0.77 HSP90AA1 (0.43) SCN2ASCN10AALDH1A1KDM4EHSP90AA1
Elpetrigine SCHEMBL3065529 0.75 SCN2A (0.88) SCN2ASCN10AADORA2APTPN11
SCHEMBL5409639 0.75 SCN2A (0.41) SCN2AALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL2415308 0.74 SCN2A (0.48) SCN2AKDM4EHSP90AA1HSP90AB1P2RX3
SCHEMBL2416612 0.72 SCN10A (0.55) SCN2ASCN10A
SCHEMBL2415584 0.71 SCN2A (0.51) SCN2ASCN10AALDH1A1KDM4EHSP90AA1
SCHEMBL20339056 0.71 ALDH1A1 (0.51) SCN2AALDH1A1KDM4EAGPAT2RECQL
SCHEMBL29785331 0.71 ALDH1A1 (0.51) SCN2AALDH1A1KDM4EAGPAT2RECQL

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 5 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

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 SCN2A 44/4885SCN10A 245/4885ALDH1A1 486/4885

“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.