SCHEMBL4680852

SCHEMBL4680852

CC(C)(C)OCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.39
SLC16A3 O15427 3/20 0.38
SLC16A1 P53985 3/20 0.38
MCTS1 Q9ULC4 3/20 0.38
DHODH Q02127 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5755339 0.90 CNR1 (0.41) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4683446 0.85 TARBP2 (0.50) CNR1DHODHNPC1RAB9A
SCHEMBL4681021 0.85 CNR1 (0.57) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4677223 0.80 CNR1 (0.44) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4676636 0.80 CNR1 (0.50) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4681287 0.79 CNR1 (0.53) CNR1CYP2C9
SCHEMBL4681469 0.79 CDH1 (0.48) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4676256 0.76 CDH1 (0.57) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4676483 0.75 CNR1 (0.46) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4677774 0.75 CNR1 (0.46) CNR1CDH1APCCTNNB1TCF7L2

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 2/4885CDH1 4795/4885APC 2234/4885

“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.