SCHEMBL3576739

SCHEMBL3576739

CC(=O)Nc1cccc(-n2ncc(=O)n(Cc3ccc(C)cc3)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
P2RX3 P56373 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3586397 0.92 P2RX3 (0.49) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3584979 0.92 IDO1 (0.46) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3576887 0.91 RAB9A (0.43) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3581597 0.91 MAPT (0.46) MEN1KMT2AHTTIDO1TDO2
SCHEMBL17493135 0.90 BTK (0.41) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3581997 0.90 SMN1; SMN2 (0.48) KMT2ATSHRHSD17B10MAPK1NPC1
SCHEMBL3588899 0.90 MEN1 (0.43) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3584780 0.89 NPBWR1 (0.46) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3577708 0.88 KDM4E (0.46) MEN1KMT2AIDO1TDO2TSHR
SCHEMBL3586747 0.88 KMT2A (0.41) MEN1KMT2AIDO1TDO2TSHR

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 22 patents — showing the first 20. 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
CN-103588718-A Novel triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA SA 2014-02-19 CN claimed
CN-101679354-B As GABABTriazinedione derivatives as receptor modulators ADDEX PHARMA SA 2013-12-18 CN 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
CN-101679354-A As GABABNovel triazinedione derivatives as receptor modulators ADDEX PHARMACEUTICALS SA 2010-03-24 CN 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
CN-103588718-A Novel triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA SA 2014-02-19 CN disclosed
CN-101679354-B As GABABTriazinedione derivatives as receptor modulators ADDEX PHARMA SA 2013-12-18 CN disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
CN-101679354-A As GABABNovel triazinedione derivatives as receptor modulators ADDEX PHARMACEUTICALS SA 2010-03-24 CN 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 (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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MEN1 4868/4885KMT2A 4282/4885HTT 3215/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MEN1 4868/4885KMT2A 4282/4885HTT 3215/4885

“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.