SCHEMBL108691

SCHEMBL108691

CC(C)(C)N(NC(=O)O)C(=O)c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL108690 0.82 NPC1 (0.52) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL4961749 0.75 PARP1 (0.62) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL6984750 0.72 LMNA (0.61) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL12868300 0.72 PARP1 (0.62) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL6823525 0.72 ALDH1A1 (0.63) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL111826 0.71 PARP1 (0.70) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL29749881 0.71 PARP1 (0.70) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL4062166 0.71 PARP1 (0.64) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL3922378 0.71 PARP1 (0.55) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL3447443 0.71 PARP1 (0.55) NPC1CASP3RAB9ASENP8SENP7

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 NPC1 1405/4885CASP3 1354/4885RAB9A 2017/4885

“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.