SCHEMBL109267

SCHEMBL109267

COC(=O)C1=C(C)CSC2C(NC(=O)Cc3ccccc3)C(=O)N12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.82
ALDH1A1 P00352 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PLCG1 P19174 1/20 0.71
TDP1 Q9NUW8 4/20 0.63
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
DUSP3 P51452 1/20 0.62
PTPN5 P54829 1/20 0.62
PTPN11 Q06124 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.60
CACNA1B Q00975 2/20 0.55
APBA1 Q02410 2/20 0.55
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL11713533 1.00 MAPK1 (0.82) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11582565 1.00 MAPK1 (0.82) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11713539 1.00 MAPK1 (0.82) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11582562 1.00 MAPK1 (0.82) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11801366 0.91 ALDH1A1 (0.77) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11801374 0.91 ALDH1A1 (0.77) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11411669 0.91 PLCG1 (0.85) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11182329 0.91 PLCG1 (0.85) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11411672 0.91 PLCG1 (0.85) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11182332 0.91 PLCG1 (0.85) MAPK1ALDH1A1L3MBTL1PLCG1TDP1

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 8 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-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
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 MAPK1 849/4885ALDH1A1 2283/4885L3MBTL1 3838/4885

“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.