SCHEMBL4678599

SCHEMBL4678599

O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.39
APC P25054 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
CNR1 P21554 2/20 0.36
F10 P00742 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2C19 P33261 2/20 0.34
DHODH Q02127 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL27656042 0.92 CDH1 (0.34) CDH1APCCTNNB1TCF7L2CNR1
SCHEMBL27655921 0.92 CDH1 (0.34) CDH1APCCTNNB1TCF7L2CNR1
SCHEMBL5458276 0.85 CNR1 (0.38) CNR1F10POLB
SCHEMBL4679680 0.84 TARBP2 (0.46) POLBKDM4ELMNACYP2C9CYP1A2
SCHEMBL27634965 0.82 KMO (0.39) F10KDM4ELMNAALDH1A1HPGD
SCHEMBL4681764 0.81 TARBP2 (0.44) KDM4EGAAALDH1A1HPGDCA1
SCHEMBL4676599 0.81 TARBP2 (0.44) KDM4EGAAALDH1A1HPGDCA1
SCHEMBL4678687 0.81 CNR1 (0.53) CNR1
SCHEMBL4680303 0.78 CNR1 (0.49) CNR1
SCHEMBL4676257 0.77 CNR1 (0.69) CNR1

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 7 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
US-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1638956-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP 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
WO-2004111039-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE 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 (2 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-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators CNR2, CNR1, HTR2C CDH1 4630/4885APC 1093/4885CTNNB1 1008/4885
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH CDH1 4795/4885APC 2234/4885CTNNB1 1663/4885

“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.