SCHEMBL4679409

SCHEMBL4679409

COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NC1CCC(F)(F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 1.00
NR1H4 Q96RI1 1/20 0.43
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
GSK3B P49841 3/20 0.41
DYRK1A Q13627 3/20 0.41
GABRA1 P14867 2/20 0.39
GABRA5 P31644 1/20 0.39
PTGES O14684 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL4677708 0.85 CNR1 (0.74) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4683966 0.85 CNR1 (0.74) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4684112 0.83 CNR1 (0.70) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4677342 0.82 CNR1 (0.69) CNR1
SCHEMBL4676257 0.82 CNR1 (0.69) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4681163 0.80 CNR1 (0.67) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4600541 0.79 CNR1 (0.65) CNR1NR1H4GSK3BDYRK1A
SCHEMBL4600547 0.78 CNR1 (0.69) CNR1NR1H4
SCHEMBL4676935 0.77 CNR1 (0.62) CNR1NR1H4PDE4BPDE4CPDE4D
SCHEMBL4242266 0.77 CNR1 (0.73) CNR1NR1H4PTGES

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-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-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP claimed
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 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 960/4885PDE4B 1061/4885

“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.