SCHEMBL978689

SCHEMBL978689

Nc1nnc(-c2ccsc2)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CYP2A6 P11509 3/20 0.39

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
SCHEMBL28152233 0.75 ADORA2A (0.50) ADORA2AADORA1CDK5CDK5R1CYP2A6
SCHEMBL23931337 0.73 CYP2A6 (0.45) ADORA2AADORA1CDK5CDK5R1SCN2A
SCHEMBL976667 0.72 CSNK1A1 (1.00) CSNK1A1CLK4ADORA2AADORA1CYP2D6
SCHEMBL2404513 0.71 KDM4E (0.52) ADORA2AADORA1CDK5CDK5R1CYP2A6
SCHEMBL12922469 0.71 CSNK1A1 (0.74) CSNK1A1CLK4ADORA2AADORA1CYP2D6
SCHEMBL979231 0.69 CSNK1A1 (0.92) CSNK1A1CLK4ADORA2AADORA1CYP2D6
SCHEMBL1388579 0.69 CYP2A6 (0.53) CYP2A6TDO2CYP2B6MAPKAPK2DHFR
SCHEMBL978698 0.68 DHFR (0.56) CSNK1A1CLK4ADORA2AADORA1CDK5
SCHEMBL12922467 0.68 CSNK1A1 (0.63) CSNK1A1CLK4ADORA2AADORA1CYP2D6
SCHEMBL17555874 0.67 CDK5 (0.53) ADORA2AADORA1CDK5CDK5R1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165869-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME UNIVERSITY OF GREENWICH (GB) 2023-06-01 US claimed
US-20230167075-A1 INTERLEUKIN INHIBITORS UNIVERSITY OF GREENWICH (GB) 2023-06-01 US claimed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP claimed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US claimed
US-20230165869-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME UNIVERSITY OF GREENWICH (GB) 2023-06-01 US disclosed
US-20230167075-A1 INTERLEUKIN INHIBITORS UNIVERSITY OF GREENWICH (GB) 2023-06-01 US disclosed
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
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CSNK1A1 719/4885CLK4 1935/4885ADORA2A 396/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CSNK1A1 4578/4885CLK4 4586/4885ADORA2A 806/4885
US-20230167075-A1 INTERLEUKIN INHIBITORS IL2, IL1A, IL1B CSNK1A1 2589/4885CLK4 3139/4885ADORA2A 390/4885
US-20230165869-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME IFNG, TNF, IL1A CSNK1A1 2546/4885CLK4 2060/4885ADORA2A 824/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CSNK1A1 802/4885CLK4 1921/4885ADORA2A 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.