SCHEMBL4684036

SCHEMBL4684036

CCOC(=O)c1nc(-c2ccc(C)cc2)c(-c2ccc(Cl)cc2)nc1Cn1cnnn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TARBP2 Q15633 2/20 0.44
CYP19A1 P11511 3/20 0.44
MAPT P10636 2/20 0.44
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL4679871 1.00 ALDH1A1 (0.46) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4677967 0.97 ALDH1A1 (0.48) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4677714 0.95 TARBP2 (0.44) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4681764 0.84 TARBP2 (0.44) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4676599 0.84 TARBP2 (0.44) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4680694 0.81 TARBP2 (0.52) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4677506 0.81 TARBP2 (0.52) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4679680 0.80 TARBP2 (0.46) TARBP2CYP19A1MAPTGABRA2GABRB2
SCHEMBL4681777 0.79 CYP19A1 (0.50) ALDH1A1TARBP2CYP19A1MAPTGABRA2
SCHEMBL4676052 0.78 CYP19A1 (0.48) TARBP2CYP19A1MAPTGABRA2GABRB2

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 ALDH1A1 3008/4885TARBP2 3058/4885CYP19A1 1209/4885

“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.