SCHEMBL4680701

SCHEMBL4680701

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.51
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
MAPT P10636 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
ALPL P05186 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5751178 0.95 TARBP2 (0.47) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4679820 0.85 TARBP2 (0.55) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4681530 0.84 TARBP2 (0.54) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680329 0.82 CDH1 (0.43) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL4677506 0.81 TARBP2 (0.52) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680694 0.81 TARBP2 (0.52) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4678034 0.80 TARBP2 (0.55) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL5755581 0.80 TARBP2 (0.50) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4683446 0.80 TARBP2 (0.50) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL4680961 0.79 TARBP2 (0.58) 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 2 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

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.