SCHEMBL107368

SCHEMBL107368

O=C1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
PKM P14618 2/20 0.57
HSP90AA1 P07900 1/20 0.54
P2RX7 Q99572 5/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK14 Q16539 1/20 0.48
ENPP2 Q13822 1/20 0.45
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PAK4 O96013 1/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
MDM2 Q00987 2/20 0.41
MGLL Q99685 1/20 0.41
CHRM1 P11229 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
SCHEMBL9971983 0.86 P2RX7 (0.53) RAB9APKMHSP90AA1P2RX7MAPK14
SCHEMBL110128 0.85 HSP90AA1 (0.48) RAB9APKMHSP90AA1P2RX7SMN1; SMN2
SCHEMBL9971989 0.84 HSP90AA1 (0.57) RAB9APKMHSP90AA1P2RX7GAA
SCHEMBL109098 0.83 HSP90AA1 (0.64) RAB9APKMHSP90AA1P2RX7GAA
SCHEMBL9971918 0.82 P2RX7 (0.52) HSP90AA1P2RX7MAPK14PARP1MGLL
SCHEMBL105677 0.81 HSP90AA1 (0.57) RAB9APKMHSP90AA1P2RX7GAA
SCHEMBL108735 0.81 P2RX7 (0.64) P2RX7
SCHEMBL9971920 0.78 HSD11B1 (0.53) RAB9APKMHSP90AA1P2RX7GAA
SCHEMBL109567 0.77 HSP90AA1 (0.55) RAB9AHSP90AA1P2RX7GAASMN1; SMN2
SCHEMBL9971921 0.77 P2RX7 (0.49) RAB9APKMHSP90AA1P2RX7GAA

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 10 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-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
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 RAB9A 2017/4885PKM 3219/4885HSP90AA1 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.