SCHEMBL9971920

SCHEMBL9971920

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
HSP90AA1 P07900 1/20 0.51
P2RX7 Q99572 1/20 0.50
PGR P06401 1/20 0.50
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42
NTRK1 P04629 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPK14 Q16539 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
SCHEMBL9971921 0.86 P2RX7 (0.49) HSD11B1HSP90AA1P2RX7POLBTDP1
SCHEMBL106697 0.84 HPGD (0.59) HSD11B1HSP90AA1P2RX7PGRPOLB
SCHEMBL28071541 0.83 HSD11B1 (0.61) HSD11B1HSP90AA1P2RX7PGRABL1
SCHEMBL9971990 0.81 HSP90AA1 (0.54) HSP90AA1P2RX7POLBTDP1RAB9A
SCHEMBL107368 0.78 RAB9A (0.57) HSP90AA1P2RX7POLBTDP1RAB9A
SCHEMBL9971982 0.78 POLB (0.61) HSD11B1P2RX7ABL1BCRPOLB
SCHEMBL4751256 0.77 HSP90AA1 (0.55) HSP90AA1POLBTDP1RAB9ASMN1; SMN2
SCHEMBL488148 0.77 HSP90AA1 (0.61) HSP90AA1POLBTDP1HRH3
SCHEMBL31464419 0.76 POLB (0.50) HSP90AA1POLBTDP1RAB9AHRH3
SCHEMBL24724312 0.76 P2RX7 (0.45) HSD11B1P2RX7PGRABL1BCR

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 HSD11B1 4012/4885HSP90AA1 2248/4885P2RX7 1/4885

“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.