SCHEMBL2780466

SCHEMBL2780466

CN(C)C=NC(=S)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2780464 1.00 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AALDH1A1MAPK1KDM4E
SCHEMBL2233528 0.71 SMN1; SMN2 (0.32) SMN1; SMN2KDM4ECYP1A2CYP2C19POLB
SCHEMBL2233523 0.71 SMN1; SMN2 (0.32) SMN1; SMN2KDM4ECYP1A2CYP2C19POLB
SCHEMBL3102738 0.71 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AALDH1A1MAPK1NPC1
SCHEMBL13301079 0.71 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AALDH1A1MAPK1NPC1
SCHEMBL28383983 0.70 SMN1; SMN2 (0.32) SMN1; SMN2KDM4E
SCHEMBL16526158 0.69
SCHEMBL2525531 0.69
SCHEMBL14948894 0.69
SCHEMBL2525528 0.69

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 4 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-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 SMN1; SMN2 2910/4885RAB9A 2017/4885ALDH1A1 2283/4885

“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.