SCHEMBL4680740

SCHEMBL4680740

COC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(C)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 1/20 0.40
CNR1 P21554 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL4680986 0.88 CDH1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL4680838 0.79 CNR1 (0.55) SLC6A3CNR1SLC6A2
SCHEMBL4676300 0.79 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL5751217 0.77 TARBP2 (0.43) ALDH1A1MAPTLMNADHODHCNR1
SCHEMBL4680862 0.74 CNR1 (0.59) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL4680964 0.74 CNR1 (0.52) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL5754413 0.73 CNR1 (0.50) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL2464043 0.72 KDM4E (0.56) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL14354157 0.72 KDM4E (0.52) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM
SCHEMBL22366899 0.71 KDM4E (0.54) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPKM

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 SMN1; SMN2 1244/4885L3MBTL1 4558/4885ALDH1A1 3008/4885

“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.