SCHEMBL3584886

SCHEMBL3584886

COc1cncc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
BRAF P15056 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3584834 0.90 MAPT (0.47) ALDH1A1LMNAKDM4EMAPTMAPK1
SCHEMBL3577519 0.89 KDM4E (0.48) FYNALDH1A1LMNAKDM4EMAPT
SCHEMBL3581678 0.88 GAA (0.42) ALDH1A1KMT2ASMN1; SMN2TSHRERCC5
SCHEMBL3583505 0.87 MAPT (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3581021 0.85 MAPT (0.44) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL3582065 0.85 NPC1 (0.47) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL3573039 0.85 IDO1 (0.37) FYNALDH1A1LMNAKDM4EMAPT
SCHEMBL3578572 0.85 IDO1 (0.38) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL3586875 0.85 L3MBTL1 (0.47) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL3586765 0.84 MAPT (0.44) ALDH1A1LMNAKDM4EMAPTNPC1

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 FYN 1516/4885ALDH1A1 3515/4885LMNA 3784/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 FYN 1516/4885ALDH1A1 3515/4885LMNA 3784/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 FYN 1516/4885ALDH1A1 3515/4885LMNA 3784/4885

“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.