SCHEMBL9972015

SCHEMBL9972015

O=C1CN(C(=O)c2cccc(F)c2F)CCN1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
PARP1 P09874 4/20 0.50
HSP90AA1 P07900 1/20 0.50
P2RX7 Q99572 1/20 0.49
PARP2 Q9UGN5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
GRM5 P41594 1/20 0.43
KMT2A Q03164 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL17850192 0.86 POLB (0.50) HPGDPARP1HSP90AA1PARP2L3MBTL1
SCHEMBL9971919 0.84 P2RX7 (0.56) PARP1HSP90AA1P2RX7
SCHEMBL111114 0.81 POLB (0.50) HPGDPARP1HSP90AA1P2RX7PARP2
SCHEMBL5354871 0.81 HPGD (0.73) HPGDPARP1P2RX7L3MBTL1CES2
SCHEMBL9971980 0.78 HSP90AA1 (0.51) HPGDPARP1HSP90AA1P2RX7L3MBTL1
SCHEMBL16026473 0.78 HSP90AA1 (0.53) PARP1HSP90AA1PARP2L3MBTL1POLB
SCHEMBL9971972 0.78 HSP90AA1 (0.53) PARP1HSP90AA1P2RX7PARP2CES2
SCHEMBL109569 0.78 P2RX7 (0.60) PARP1HSP90AA1P2RX7KMT2A
SCHEMBL107345 0.77 RXFP1 (0.66) HPGDPARP1HSP90AA1P2RX7L3MBTL1
SCHEMBL9971918 0.77 P2RX7 (0.52) PARP1HSP90AA1P2RX7L3MBTL1

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 6 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
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 HPGD 2288/4885PARP1 2441/4885HSP90AA1 2248/4885

“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.