SCHEMBL4676774

SCHEMBL4676774

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1nnc(C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP19A1 P11511 2/20 0.44
TARBP2 Q15633 1/20 0.42
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4676052 0.86 CYP19A1 (0.48) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4678089 0.82 CYP19A1 (0.46) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4680945 0.79 CNR1 (0.48) CNR1
SCHEMBL4679680 0.78 TARBP2 (0.46) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4681777 0.77 CYP19A1 (0.50) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4677074 0.77 SLC2A1 (0.48) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4677967 0.76 ALDH1A1 (0.48) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4681764 0.75 TARBP2 (0.44) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4676599 0.75 TARBP2 (0.44) MAPTCYP19A1TARBP2GABRA2GABRB2
SCHEMBL4679820 0.75 TARBP2 (0.55) MAPTCYP19A1TARBP2GABRA2GABRB2

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 MAPT 1463/4885CYP19A1 1209/4885TARBP2 3058/4885

“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.