SCHEMBL3589559

SCHEMBL3589559

COc1nn(-c2ccc(Cl)c(NC(C)=O)c2)c(=O)n(Cc2ccc(N(C)C)nc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.36
ALDH1A1 P00352 1/20 0.34
P2RX3 P56373 6/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MAPT P10636 2/20 0.33
P2RX7 Q99572 2/20 0.33
ROCK2 O75116 1/20 0.33
NTRK1 P04629 1/20 0.32
EEF2K O00418 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3583582 0.87 FEN1 (0.39) FEN1ALDH1A1MAPTP2RX7ROCK2
SCHEMBL3578395 0.87 NPC1 (0.41) FEN1ALDH1A1P2RX3MAPT
SCHEMBL3590299 0.85 ROCK2 (0.43) FEN1ALDH1A1P2RX3MAPTROCK2
SCHEMBL3590360 0.85 MAPT (0.44) FEN1ALDH1A1MAPTP2RX7ROCK2
SCHEMBL3581762 0.85 BTK (0.37) ALDH1A1P2RX3CACNA1GCACNA1HCACNA1I
SCHEMBL3586738 0.85 FEN1 (0.41) FEN1ALDH1A1MAPTP2RX7ROCK2
SCHEMBL3586715 0.85 FEN1 (0.37) FEN1ALDH1A1P2RX3MAPTP2RX7
SCHEMBL3586306 0.84 FEN1 (0.40) FEN1ALDH1A1P2RX3MAPTP2RX7
SCHEMBL3584699 0.83 LMNA (0.35) FEN1ALDH1A1MAPT
SCHEMBL3581392 0.82 MAPT (0.40) FEN1ALDH1A1P2RX3MAPT

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 16 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 claimed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP claimed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US claimed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP claimed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US claimed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US claimed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP claimed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 WO claimed
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 FEN1 4748/4885ALDH1A1 3515/4885P2RX3 224/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 FEN1 4748/4885ALDH1A1 3515/4885P2RX3 224/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 FEN1 4748/4885ALDH1A1 3515/4885P2RX3 224/4885

“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.