SCHEMBL5458276

SCHEMBL5458276

CC(C)(C)OC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
CNR2 P34972 2/20 0.38
KCNK3 O14649 5/20 0.35
KCNK9 Q9NPC2 5/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
POLB P06746 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
F10 P00742 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
SCHEMBL4679680 0.86 TARBP2 (0.46) POLBGABRA2GABRB2
SCHEMBL4678599 0.85 CDH1 (0.39) CNR1POLBF10
SCHEMBL4676599 0.83 TARBP2 (0.44) GABRA2GABRB2
SCHEMBL4681764 0.83 TARBP2 (0.44) GABRA2GABRB2
SCHEMBL27656042 0.79 CDH1 (0.34) CNR1F10
SCHEMBL27655921 0.79 CDH1 (0.34) CNR1F10
SCHEMBL4680949 0.77 TARBP2 (0.44) GABRA2GABRB2
SCHEMBL4678687 0.74 CNR1 (0.53) CNR1CNR2
SCHEMBL4677223 0.74 CNR1 (0.44) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL4680688 0.73 CNR1 (0.49) 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
US-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US claimed
EP-1638956-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP claimed
WO-2004111039-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO claimed
US-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1638956-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111039-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE 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-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators CNR2, CNR1, HTR2C CNR1 2/4885CNR2 1/4885KCNK3 822/4885

“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.