SCHEMBL4677882

SCHEMBL4677882

Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)C(=O)OC3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 2/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAOB P27338 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL4681014 0.91 NR1H4 (0.46) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL10373895 0.80 MEN1 (0.50) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL26867246 0.78 TDP1 (0.79) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL16659834 0.78 TDP1 (0.79) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL12767603 0.76 RAB9A (0.56) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL10980169 0.73 PTGS2 (0.53) TDP1RAB9AMEN1KMT2ANPC1
SCHEMBL22969696 0.72 TDP1 (0.58) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL6341547 0.71 TDP1 (0.91) TDP1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL20831971 0.70 USP1 (0.52) TDP1ALDH1A1KDM4ERAB9AMEN1
SCHEMBL20831969 0.70 ADORA2A (0.52) TDP1ALDH1A1KDM4ERAB9AL3MBTL1

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 TDP1 4372/4885ALDH1A1 3008/4885KDM4E 775/4885

“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.