SCHEMBL107631

SCHEMBL107631

CC(C)(C)OC(=O)NNC(=O)c1cccc(F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CTSA P10619 2/20 0.40
APLNR P35414 1/20 0.39
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 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
SCHEMBL106420 0.82 APLNR (0.50) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29498377 0.79 CYP1A2 (0.43) GRM4CLK1CLK2CTSAMAPT
SCHEMBL2478010 0.79 CYP1A2 (0.43) GRM4CLK1CLK2CTSAMAPT
SCHEMBL27253373 0.77 APLNR (0.42) MEN1NPC1GAARAB9AKMT2A
SCHEMBL30897561 0.77 APLNR (0.42) MEN1NPC1GAARAB9AKMT2A
SCHEMBL2250438 0.75 FFAR2 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL12579446 0.74 TRPA1 (0.44) GRM4MEN1NPC1GAARAB9A
SCHEMBL28387604 0.73 GAA (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29396394 0.73 BRD4 (0.54) GRM4GAAPOLBCLK1CLK2
SCHEMBL19898227 0.73 BRD4 (0.54) GRM4GAAPOLBCLK1CLK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 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 (1 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-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 GRM4 472/4885MEN1 4170/4885NPC1 1405/4885

“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.