SCHEMBL3582300

SCHEMBL3582300

Nc1cccc(-n2ncc(=O)[nH]c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 9/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ABCB11 O95342 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10439124 0.81 NPC1 (0.55) TSHRKMT2ANPC1RAB9ATHRB
SCHEMBL10439328 0.81 MAPK14 (0.45) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL6168543 0.81 PARP1 (0.46) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL6242523 0.80 CNOT7 (0.51) MEN1NR1I2KMT2AP2RX7DDB1
SCHEMBL13548231 0.79 P2RX7 (0.40) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL10439310 0.78 NPBWR1 (0.48) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL9633351 0.78 DDB1 (0.43) TSHRMEN1KMT2ADDB1CRBN
SCHEMBL3348736 0.76 P2RX7 (0.48) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL3346085 0.76 MEN1 (0.43) MEN1NR1I2KMT2AP2RX7ABCB11
SCHEMBL3586380 0.74 IDO1 (0.52) P2RX7DDB1CRBNABCB11

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 TSHR 493/4885MEN1 4868/4885NR1I2 496/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TSHR 493/4885MEN1 4868/4885NR1I2 496/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TSHR 493/4885MEN1 4868/4885NR1I2 496/4885

“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.