SCHEMBL976986

SCHEMBL976986

Nc1nnc(C2(c3ccc(Cl)cc3)CC2)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
HSD11B2 P80365 3/20 0.39
HSD11B1 P28845 9/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
GSK3B P49841 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
PIK3CG P48736 1/20 0.38
PDE5A O76074 1/20 0.36
MAP4K4 O95819 1/20 0.36
NR1I2 O75469 2/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL1023748 0.95 BACE1 (0.51) BACE1HSD11B2HSD11B1PIK3CGPDE5A
SCHEMBL1025471 0.95 BACE1 (0.48) BACE1HSD11B2HSD11B1PDE5AMAP4K4
SCHEMBL978581 0.94 BACE1 (0.50) BACE1HSD11B2HSD11B1PIK3CGPDE5A
SCHEMBL9607818 0.83 CSNK1A1 (0.44) HSD11B2HSD11B1ADORA2AADORA1
SCHEMBL9607819 0.80 BACE1 (0.49) BACE1ALDH1A1ADORA1
SCHEMBL9607812 0.79 HSD11B1 (0.41) BACE1HSD11B2HSD11B1ALDH1A1L3MBTL1
SCHEMBL9607810 0.79 HSD11B1 (0.41) HSD11B2HSD11B1PIK3CGALDH1A1ADORA2A
SCHEMBL9607809 0.79 CSNK1A1 (0.43) HSD11B2HSD11B1ALDH1A1L3MBTL1ADORA2A
SCHEMBL9607820 0.78 ALDH1A1 (0.43) BACE1HSD11B2HSD11B1ALDH1A1L3MBTL1
SCHEMBL9607808 0.77 CSNK1A1 (0.42) HSD11B2HSD11B1ALDH1A1L3MBTL1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP claimed
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 (3 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 BACE1 2641/4885HSD11B2 853/4885HSD11B1 1001/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A BACE1 203/4885HSD11B2 3861/4885HSD11B1 3860/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A BACE1 3078/4885HSD11B2 1000/4885HSD11B1 1191/4885

“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.