SCHEMBL4683446

SCHEMBL4683446

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1COC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.50
GABRA2 P47869 5/20 0.46
GABRB2 P47870 5/20 0.46
MAPT P10636 4/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALPL P05186 1/20 0.42
CYP19A1 P11511 1/20 0.42
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL4680852 0.85 CNR1 (0.44) CNR1NPC1RAB9ADHODH
SCHEMBL4679820 0.84 TARBP2 (0.55) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4681530 0.83 TARBP2 (0.54) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4678078 0.82 TARBP2 (0.49) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680466 0.81 PTPN11 (0.53) TARBP2GABRA2GABRB2MAPTNPSR1
SCHEMBL4677506 0.81 TARBP2 (0.52) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680694 0.81 TARBP2 (0.52) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680701 0.80 TARBP2 (0.51) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4678034 0.79 TARBP2 (0.55) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL5755581 0.79 TARBP2 (0.50) TARBP2GABRA2GABRB2MAPTTRPM8

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 4 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 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 TARBP2 3058/4885GABRA2 76/4885GABRB2 138/4885

“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.