SCHEMBL3578643

SCHEMBL3578643

CC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(F)cc3F)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RIPK1 Q13546 1/20 0.41
PCK1 P35558 3/20 0.39
RIPK3 Q9Y572 1/20 0.39
P2RX7 Q99572 3/20 0.39
MCHR1 Q99705 2/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL3577324 0.88 SMN1; SMN2 (0.42) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL3588231 0.87 MCHR1 (0.44) SMN1; SMN2MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3578357 0.84 P2RX7 (0.41) SMN1; SMN2GAAMAPTLMNAIDO1
SCHEMBL3589137 0.82 EEF2K (0.46) SMN1; SMN2MAPTALDH1A1LMNAIDO1
SCHEMBL3579952 0.82 IDO1 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1PKM
SCHEMBL3580890 0.82 LMNA (0.42) MAPTKDM4EALDH1A1PKMMAPK1
SCHEMBL3588655 0.81 MAPT (0.41) SMN1; SMN2MAPTALDH1A1LMNAIDO1
SCHEMBL3585664 0.81 MAPT (0.43) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL3586554 0.81 NPC1 (0.52) SMN1; SMN2GAAMAPTALDH1A1LMNA
SCHEMBL3581041 0.80 LMNA (0.39) SMN1; SMN2GAAMAPTLMNAIDO1

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 20 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
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
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
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 SMN1; SMN2 301/4885GAA 1597/4885MAPT 2371/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 SMN1; SMN2 301/4885GAA 1597/4885MAPT 2371/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 SMN1; SMN2 301/4885GAA 1597/4885MAPT 2371/4885

“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.