SCHEMBL4680862

SCHEMBL4680862

COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.42
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL4680181 0.89 CNR1 (0.52) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5754413 0.88 CNR1 (0.50) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4681021 0.87 CNR1 (0.57) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4247678 0.87 CNR1 (0.57) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4677242 0.82 CNR1 (0.46) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4681335 0.82 CNR1 (0.51) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4247679 0.82 CNR1 (0.57) CNR1L3MBTL1KDM4ELMNADHODH
SCHEMBL4676300 0.80 SMN1; SMN2 (0.52) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4783347 0.79 CNR1 (0.48) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4678461 0.78 CNR1 (0.47) CNR1SMN1; SMN2L3MBTL1ALDH1A1KDM4E

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 CNR1 2/4885SMN1; SMN2 1244/4885L3MBTL1 4558/4885

“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.