SCHEMBL9971982

SCHEMBL9971982

O=C1CN(C(=O)c2cccc(C(F)(F)F)c2)CCN1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
HSD11B1 P28845 2/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
RBP4 P02753 1/20 0.50
MGLL Q99685 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
P2RX7 Q99572 1/20 0.48
CES2 O00748 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL14223339 0.82 POLB (0.74) POLBLMNAHPGDHSD11B1ABL1
Piperazine SCHEMBL28114508 0.81 POLB (0.72) POLBLMNAHPGDHSD11B1ABL1
SCHEMBL17850234 0.80 POLB (0.59) POLBHPGDHSD11B1MGLLMEN1
SCHEMBL9971981 0.80 PKM (0.54) POLBLMNAMGLLSMN1; SMN2TDP1
SCHEMBL10883109 0.79 SIGMAR1 (0.62) POLBHPGDMEN1KMT2ATDP1
SCHEMBL9971921 0.79 P2RX7 (0.49) POLBHSD11B1MEN1KMT2ASMN1; SMN2
SCHEMBL15652336 0.78 POLB (0.50) POLBMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL9971920 0.78 HSD11B1 (0.53) POLBHPGDHSD11B1ABL1BCR
SCHEMBL25035716 0.77 POLB (0.62) POLBLMNAHPGDHSD11B1ABL1
SCHEMBL15031162 0.77 POLB (0.52) POLBHPGDMEN1KMT2ASMN1; SMN2

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 POLB 4799/4885LMNA 4766/4885HPGD 2288/4885

“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.