SCHEMBL4683966

SCHEMBL4683966

O=C(NC1CCC(F)(F)CC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1COCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.74
NR1H4 Q96RI1 1/20 0.40
PRKAA2 P54646 1/20 0.39
CNR2 P34972 4/20 0.39
DYRK1A Q13627 3/20 0.39
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
GSK3B P49841 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL4684898 0.87 CNR1 (0.55) CNR1NR1H4PRKAA2CNR2
SCHEMBL4679409 0.85 CNR1 (1.00) CNR1NR1H4DYRK1APDE4BPDE4C
SCHEMBL4677708 0.79 CNR1 (0.74) CNR1NR1H4PRKAA2DYRK1APDE4B
SCHEMBL4680959 0.78 PTGDR2 (0.42) CNR1MDM2
SCHEMBL4684112 0.78 CNR1 (0.70) CNR1NR1H4DYRK1APDE4BPDE4C
SCHEMBL4677242 0.78 CNR1 (0.46) CNR1TP53
SCHEMBL4676257 0.76 CNR1 (0.69) CNR1NR1H4DYRK1APDE4BPDE4C
SCHEMBL4681163 0.74 CNR1 (0.67) CNR1NR1H4CNR2DYRK1APDE4B
SCHEMBL4676935 0.71 CNR1 (0.62) CNR1NR1H4CNR2DYRK1APDE4B
SCHEMBL5769982 0.70 CNR1 (1.00) CNR1CNR2

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
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US claimed
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH CNR1 2/4885NR1H4 960/4885PRKAA2 1765/4885

“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.