SCHEMBL4680949

SCHEMBL4680949

CCOC(=O)c1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)nc1Cn1ncnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.44
CYP19A1 P11511 1/20 0.43
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL4681764 0.95 TARBP2 (0.44) TARBP2CYP19A1GABRA2GABRB2ALDH1A1
SCHEMBL4676599 0.95 TARBP2 (0.44) TARBP2CYP19A1GABRA2GABRB2ALDH1A1
SCHEMBL4679680 0.91 TARBP2 (0.46) TARBP2CYP19A1GABRA2GABRB2CYP1A2
SCHEMBL4677714 0.82 TARBP2 (0.44) TARBP2CYP19A1GABRA2GABRB2CYP1A2
SCHEMBL4681325 0.79 TARBP2 (0.53) TARBP2CYP19A1GABRA2GABRB2CYP1A2
SCHEMBL4679871 0.78 ALDH1A1 (0.46) TARBP2CYP19A1GABRA2GABRB2CYP1A2
SCHEMBL4684036 0.78 ALDH1A1 (0.46) TARBP2CYP19A1GABRA2GABRB2CYP1A2
SCHEMBL5458276 0.77 CNR1 (0.38) GABRA2GABRB2
SCHEMBL4680579 0.77 CNR1 (0.53) MEN1KMT2A
SCHEMBL4678599 0.74 CDH1 (0.39) CYP1A2CYP2C9CYP2C19PKMALDH1A1

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 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
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
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 3058/4885CYP19A1 1209/4885GABRA2 76/4885

“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.