SCHEMBL9971972

SCHEMBL9971972

O=C1CN(C(=O)c2ccc(F)cc2F)CCN1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 3/20 0.48
MAPK14 Q16539 1/20 0.48
P2RX7 Q99572 4/20 0.47
PARP2 Q9UGN5 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR6 P46095 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL108738 0.86 P2RX7 (0.62) HSP90AA1P2RX7
SCHEMBL13498286 0.86 HSP90AA1 (0.51) HSP90AA1KDM4EKMT2APARP1MAPK14
SCHEMBL107177 0.86 HSP90AA1 (0.51) HSP90AA1KDM4EKMT2APARP1P2RX7
SCHEMBL9971989 0.86 HSP90AA1 (0.57) HSP90AA1PARP1MAPK14P2RX7PARP2
SCHEMBL9971991 0.86 HSP90AA1 (0.51) HSP90AA1KMT2APARP1MAPK14P2RX7
SCHEMBL9971983 0.84 P2RX7 (0.53) HSP90AA1PARP1MAPK14P2RX7PARP2
SCHEMBL21170645 0.80 HRH3 (0.54) HSP90AA1KDM4EKMT2APARP1POLB
Hydrochloric Acid SCHEMBL2849329 0.80 KDM4E (0.58) HSP90AA1KDM4EHTTKMT2APARP1
SCHEMBL109567 0.80 HSP90AA1 (0.55) HSP90AA1KMT2APARP1MAPK14P2RX7
SCHEMBL111114 0.78 POLB (0.50) HSP90AA1KMT2APARP1MAPK14P2RX7

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 7 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-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 HSP90AA1 2248/4885KDM4E 4459/4885HTT 405/4885

“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.