SCHEMBL3581690

SCHEMBL3581690

C=CCn1c(=O)c(Br)nn(-c2cccc(NC(C)=O)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
NOX4 Q9NPH5 1/20 0.37
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
EGFR P00533 1/20 0.36
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3577676 0.86 ADORA1 (0.42) ADORA1GAAIDO1TDO2ALDH1A1
SCHEMBL3573126 0.82 SMN1; SMN2 (0.42) GAAIDO1TDO2RAB9ANPC1
SCHEMBL3583477 0.82 NPC1 (0.48) GAAIDO1TDO2ALDH1A1RAB9A
SCHEMBL3581067 0.75 MAPT (0.44) IDO1TDO2ALDH1A1RAB9AMAPT
SCHEMBL3589137 0.72 EEF2K (0.46) IDO1TDO2ALDH1A1RAB9ANPC1
SCHEMBL14945869 0.71 NPC1 (0.48) GAAIDO1TDO2ALDH1A1RAB9A
SCHEMBL3585664 0.71 MAPT (0.43) GAAIDO1TDO2ALDH1A1RAB9A
SCHEMBL3586554 0.70 NPC1 (0.52) GAAIDO1TDO2ALDH1A1RAB9A
SCHEMBL3584521 0.70 NPC1 (0.47) GAAIDO1TDO2ALDH1A1RAB9A
SCHEMBL3584604 0.69 NPC1 (0.48) GAAIDO1TDO2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 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 (3 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA1 261/4885GAA 1597/4885IDO1 2215/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA1 261/4885GAA 1597/4885IDO1 2215/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA1 261/4885GAA 1597/4885IDO1 2215/4885

“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.