SCHEMBL106846

SCHEMBL106846

Cn1ccnc1C(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
SMYD3 Q9H7B4 1/20 0.46
P2RX7 Q99572 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
FDPS P14324 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GRM1 Q13255 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
GRM4 Q14833 2/20 0.39
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10099637 0.82 NAMPT (0.54) NAMPTSMYD3HTTALDH1A1LMNA
Hydrochloric Acid SCHEMBL29004721 0.81 NAMPT (0.53) NAMPTSMYD3HTTALDH1A1LMNA
SCHEMBL405925 0.79
SCHEMBL284637 0.78
Bromide SCHEMBL27989356 0.78 NAMPT (0.45) NAMPTSMYD3HTTALDH1A1LMNA
SCHEMBL5604635 0.77 TSHR (0.49) NAMPTSMYD3HTTALDH1A1LMNA
Hydrochloric Acid SCHEMBL1981157 0.77 NAMPT (0.42) NAMPTSMYD3HTTALDH1A1LMNA
SCHEMBL13585082 0.76 GRIN3B (0.45) NAMPTSMYD3
SCHEMBL2363842 0.76 GRIN3B (0.45) NAMPTSMYD3
SCHEMBL2363843 0.76 SMYD3 (0.49) NAMPTSMYD3HTTALDH1A1LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105890063-B Vertical air eliminator 刘世超 2019-04-05 CN disclosed
CN-106004353-A Vehicle-mounted air purification device 刘世超 2016-10-12 CN disclosed
CN-105890063-A Three-dimensional air purifier 刘世超 2016-08-24 CN 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
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
CN-105385331-A Environment-friendly odorless furniture and manufacturing method thereof SICHUAN NUKE HOUSEHOLD CO LTD 2016-03-09 CN 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
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
EP-2371219-A1 Herbicidal acylhydrazides BASF SE (DE) 2011-10-05 EP 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
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 NAMPT 2045/4885SMYD3 4641/4885P2RX7 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.