SCHEMBL4456962

SCHEMBL4456962

O=C(O)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.57
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MCL1 Q07820 3/20 0.49
PTPN1 P18031 1/20 0.46
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHODH Q02127 1/20 0.42

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
SCHEMBL30712642 0.84 CNR1 (0.66) CNR1ALDH1A1KDM4EHPGDALOX15
SCHEMBL4456253 0.84 CNR1 (0.66) CNR1ALDH1A1KDM4EHPGDALOX15
SCHEMBL4465958 0.83 CNR1 (0.69) CNR1
SCHEMBL2704945 0.83 CNR1 (0.67) CNR1KDM4E
SCHEMBL7260014 0.81 CNR1 (0.91) CNR1
SCHEMBL4455131 0.79 CNR1 (0.67) CNR1ALDH1A1KDM4EMCL1HPGD
SCHEMBL5452416 0.76 CNR1 (0.61) CNR1
SCHEMBL2704596 0.76 BCL2L1 (0.41) CNR1ALDH1A1KDM4EHPGDALOX15
SCHEMBL2113992 0.76 CNR1 (0.51) CNR1ALDH1A1MCL1HPGDALOX15
SCHEMBL22532587 0.74 CNR1 (0.44) CNR1ALDH1A1ALOX15

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 US disclosed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2006-06-22 US disclosed
EP-1592451-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND AstraZeneca AB (SE) 2005-11-09 EP disclosed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 US disclosed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 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-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound SKP1, SPOP, ABCG2 CNR1 4128/4885ALDH1A1 1444/4885KDM4E 3980/4885
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists CNR1, CNR2, GPR18 CNR1 1/4885ALDH1A1 2665/4885KDM4E 2340/4885

“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.