SCHEMBL977342

SCHEMBL977342

Nc1cnc(-c2ccc3ccccc3c2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ADORA2A P29274 5/20 0.49
ADORA1 P30542 3/20 0.49
CYP1A2 P05177 1/20 0.46
SRC P12931 5/20 0.46
PIK3CD O00329 4/20 0.46
ABL1 P00519 4/20 0.46
PRKDC P78527 4/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
EGFR P00533 1/20 0.46
HCK P08631 1/20 0.46
KDR P35968 1/20 0.46
MTOR P42345 1/20 0.46
EPHB4 P54760 1/20 0.46
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL20600832 0.83 ADORA2A (0.49) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL20658540 0.83 ADORA2A (0.63) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL10399574 0.80 CSNK1A1 (0.52) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL23625965 0.75 SRC (0.51) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL7061214 0.74 MAP4K4 (0.59) DHFRKDM4EADORA2AADORA1SRC
SCHEMBL976510 0.74 ADORA2A (0.71) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL17689701 0.73 MAP4K4 (0.59) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL12223315 0.72 ADORA2A (0.58) KDM4EADORA2AADORA1CYP1A2MAPK9
SCHEMBL9853589 0.72 HTR2B (0.49) DHFRKDM4EADORA2AADORA1CYP1A2
SCHEMBL6722240 0.72 KMT2A (0.55) DHFRKDM4EADORA2AADORA1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US disclosed
CN-101918378-B Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2013-12-04 CN disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US disclosed
CN-101918378-A Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2010-12-15 CN disclosed
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 WO disclosed
EP-0966448-B1 PYRAZINE COMPOUNDS GLAXO GROUP LTD (GB) 2003-10-01 EP disclosed
US-6599905-B2 Phenyl or naphthyl-pyrazine compounds useful in the treatment of central nervous system diseases SMITHKLINE BEECHAM CORPORATION 2003-07-29 US disclosed
CN-1105111-C Pyrazine compounds GLAXO GROUP LTD (GB) 2003-04-09 CN disclosed
US-20020169172-A1 Pyrazine compounds GLAXO WELLCOME INC. 2002-11-14 US disclosed
US-6255307-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS GLAXO WELLCOME, INC. 2001-07-03 US disclosed
CN-1253551-A Pyrazine compounds GLAXO GROUP LTD (GB) 2000-05-17 CN disclosed
EP-0966448-A1 PYRAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-12-29 EP disclosed
WO-1998038174-A1 PYRAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1998-09-03 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 (4 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A DHFR 1243/4885KDM4E 4414/4885ADORA2A 396/4885
US-20020169172-A1 Pyrazine compounds HCRTR1, HCRTR2, GRIN2C DHFR 1262/4885KDM4E 3401/4885ADORA2A 948/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A DHFR 896/4885KDM4E 2563/4885ADORA2A 806/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A DHFR 1353/4885KDM4E 4452/4885ADORA2A 373/4885

“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.