SCHEMBL109707

SCHEMBL109707

COC(=O)c1nscc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 5/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
CYP2A6 P11509 1/20 0.36
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
ATM Q13315 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL13468179 0.81 KDM4E (0.44) KDM4EMAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL12263255 0.80 NPSR1 (0.46) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL31319640 0.80 NPSR1 (0.46) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL6422368 0.78 NPSR1 (0.45) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL3614725 0.78 TDP1 (0.58) NPSR1KDM4ESTAT3HIF1ATDP1
Hydrochloric Acid SCHEMBL9369833 0.77 TDP1 (0.61) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL13469112 0.77 NPSR1 (0.43) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL4595000 0.77
SCHEMBL15614505 0.76 NPSR1 (0.42) NPSR1KDM4ESTAT3HIF1ATDP1
SCHEMBL20272409 0.75

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 12 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
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-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-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
EP-2510786-A1 Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives Bayer CropScience AG (DE) 2012-10-17 EP 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
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
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
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 NPSR1 29/4885KDM4E 4459/4885STAT3 1500/4885

“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.