SCHEMBL978698

SCHEMBL978698

Nc1nnc(-c2cccs2)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.56
CSNK1A1 P48729 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ADORA2A P29274 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2D6 P10635 2/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PLAU P00749 1/20 0.47
ADORA1 P30542 2/20 0.46
RPS6KB2 Q9UBS0 4/20 0.46
EPHX2 P34913 1/20 0.46
ADORA2B P29275 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
SCHEMBL20392667 0.81 ADORA2A (0.53) DHFRADORA2AMEN1KMT2AALDH1A1
SCHEMBL23931338 0.76 MEN1 (0.50) DHFRADORA2AMEN1KMT2AALDH1A1
SCHEMBL10456321 0.74 DHFR (0.85) DHFRCSNK1A1CLK4ADORA2AMEN1
SCHEMBL978843 0.72 MAPT (0.56) CSNK1A1CLK4ADORA2AMEN1KMT2A
SCHEMBL7243836 0.70 RPS6KB2 (0.56) DHFRADORA2AMEN1KMT2AALDH1A1
SCHEMBL978238 0.70 APP (0.50) CSNK1A1CLK4ADORA2ACYP2D6PLAU
SCHEMBL976587 0.70 CYP2D6 (0.46) CSNK1A1CLK4ADORA2AMEN1KMT2A
SCHEMBL976591 0.70 CSNK1A1 (0.46) DHFRCSNK1A1CLK4ADORA2AMEN1
SCHEMBL820251 0.70 RPS6KB2 (0.50) DHFRADORA2AMEN1KMT2AALDH1A1
SCHEMBL976667 0.69 CSNK1A1 (1.00) DHFRCSNK1A1CLK4ADORA2AALDH1A1

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 26 patents — showing the first 20. 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-4138839-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME University of Greenwich (GB) 2023-03-01 EP claimed
EP-4138838-A1 INTERLEUKIN INHIBITORS University of Greenwich (GB) 2023-03-01 EP claimed
WO-2021214494-A1 INTERLEUKIN INHIBITORS UNIVERSITY OF GREENWICH (GB) 2021-10-28 WO claimed
WO-2021214495-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME UNIVERSITY OF GREENWICH (GB) 2021-10-28 WO 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
EP-4138838-A1 INTERLEUKIN INHIBITORS University of Greenwich (GB) 2023-03-01 EP disclosed
EP-4138839-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME University of Greenwich (GB) 2023-03-01 EP disclosed
WO-2021214495-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME UNIVERSITY OF GREENWICH (GB) 2021-10-28 WO 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 (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 1243/4885CSNK1A1 719/4885CLK4 1935/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A DHFR 896/4885CSNK1A1 4578/4885CLK4 4586/4885
US-20230167075-A1 INTERLEUKIN INHIBITORS IL2, IL1A, IL1B DHFR 1900/4885CSNK1A1 2589/4885CLK4 3139/4885
US-20230165869-A1 DIAZINE AND TRIAZINE COMPOUNDS TO TREAT CYTOKINE STORM SYNDROME IFNG, TNF, IL1A DHFR 1366/4885CSNK1A1 2546/4885CLK4 2060/4885

“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.