SCHEMBL9971980

SCHEMBL9971980

O=C1CN(C(=O)c2c(F)cccc2Cl)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 1/20 0.46
GAA P10253 2/20 0.44
MAPK14 Q16539 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 1/20 0.43
PARP1 P09874 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9971826 0.90 HSP90AA1 (0.57) HSP90AA1KMT2ANPC1GLAHPGD
SCHEMBL17850246 0.84 HSP90AA1 (0.51) HSP90AA1KMT2ANPC1GLAHPGD
SCHEMBL109569 0.78 P2RX7 (0.60) HSP90AA1KMT2AP2RX7GAAPARP1
SCHEMBL9972015 0.78 HPGD (0.60) HSP90AA1KMT2AHPGDP2RX7PARP1
SCHEMBL107345 0.78 RXFP1 (0.66) HSP90AA1KMT2ALMNAHPGDP2RX7
SCHEMBL110210 0.77 HSP90AA1 (0.59) HSP90AA1KMT2ALMNAHPGDP2RX7
SCHEMBL17850192 0.76 POLB (0.50) HSP90AA1KMT2ALMNAHPGDMAPK14
SCHEMBL9971990 0.76 HSP90AA1 (0.54) HSP90AA1KMT2AHPGDP2RX7GAA
SCHEMBL109567 0.75 HSP90AA1 (0.55) HSP90AA1KMT2AP2RX7GAAMAPK14
SCHEMBL109791 0.74 HSP90AA1 (0.57) HSP90AA1KMT2AHPGDP2RX7GAA

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 2248/4885KMT2A 4184/4885LMNA 4766/4885

“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.