SCHEMBL9971990

SCHEMBL9971990

O=C1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P2RX7 Q99572 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NTRK1 P04629 1/20 0.45
HPGD P15428 2/20 0.44
TACR3 P29371 1/20 0.44
MAPK14 Q16539 1/20 0.44
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HTR1A P08908 2/20 0.42

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
SCHEMBL106697 0.88 HPGD (0.59) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL17850244 0.84 POLB (0.56) HSP90AA1POLBTDP1HRH3HPGD
SCHEMBL4751256 0.83 HSP90AA1 (0.55) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL623354 0.83 POLB (0.57) HSP90AA1POLBTDP1RAB9AHRH3
SCHEMBL9971921 0.82 P2RX7 (0.49) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL31464419 0.82 POLB (0.50) HSP90AA1POLBTDP1RAB9AHRH3
SCHEMBL9971981 0.81 PKM (0.54) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL9971920 0.81 HSD11B1 (0.53) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL21170645 0.80 HRH3 (0.54) HSP90AA1POLBTDP1GAARAB9A
SCHEMBL9971989 0.79 HSP90AA1 (0.57) HSP90AA1POLBTDP1GAARAB9A

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 HSP90AA1 2248/4885POLB 4799/4885TDP1 2029/4885

“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.