SCHEMBL108658

SCHEMBL108658

Cc1ccc(C(=O)N2CCNC(=O)C2)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
P2RX7 Q99572 4/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK14 Q16539 1/20 0.45
KMT2A Q03164 4/20 0.45
MDM2 Q00987 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PAK4 O96013 1/20 0.40
PTK6 Q13882 1/20 0.40

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
SCHEMBL105885 0.88 HSP90AA1 (0.59) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL109567 0.85 HSP90AA1 (0.55) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL108507 0.84 HSP90AA1 (0.52) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL105677 0.84 HSP90AA1 (0.57) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL109090 0.82 HSP90AA1 (0.52) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL109791 0.81 HSP90AA1 (0.57) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL109569 0.81 P2RX7 (0.60) HSP90AA1P2RX7KMT2AGAAPARP1
SCHEMBL108647 0.81 HSP90AA1 (0.53) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL110210 0.80 HSP90AA1 (0.59) HSP90AA1P2RX7POLBTDP1MAPK14
SCHEMBL111114 0.78 POLB (0.50) HSP90AA1P2RX7POLBTDP1MAPK14

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 11 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
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 HSP90AA1 2248/4885P2RX7 1/4885POLB 4799/4885

“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.