SCHEMBL4680959

SCHEMBL4680959

O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1COCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
CNR1 P21554 2/20 0.41
DHODH Q02127 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PTGER1 P34995 3/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CDH1 P12830 1/20 0.38
APC P25054 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4677242 0.87 CNR1 (0.46) PTGDR2CNR1PTGER1ALDH1A1HTT
SCHEMBL4683966 0.78 CNR1 (0.74) CNR1MDM2
SCHEMBL4681021 0.78 CNR1 (0.57) PTGDR2CNR1DHODHCDH1APC
SCHEMBL4676636 0.78 CNR1 (0.50) PTGDR2CNR1DHODHCDH1APC
SCHEMBL4680852 0.75 CNR1 (0.44) PTGDR2CNR1DHODHCDH1APC
SCHEMBL4681469 0.75 CDH1 (0.48) PTGDR2CNR1DHODHCDH1APC
SCHEMBL5231394 0.75 TP53 (0.55) CNR1MDM2ALDH1A1
SCHEMBL5773923 0.74 CYP1A2 (0.41) CNR1DHODHEGLN1PTGER1ALDH1A1
SCHEMBL27655901 0.73 CDH1 (0.41) PTGDR2CNR1DHODHCDH1APC
SCHEMBL27655891 0.73 CDH1 (0.41) PTGDR2CNR1DHODHCDH1APC

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 PTGDR2 305/4885CNR1 2/4885DHODH 3197/4885

“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.