SCHEMBL979490

SCHEMBL979490

Nc1nnc(-c2ccc(OCc3ccccc3)cc2)c(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
GAA P10253 2/20 0.55
MGAM O43451 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 2/20 0.53
MAOA P21397 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GHSR Q92847 2/20 0.50
IKBKE Q14164 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PRKDC P78527 1/20 0.50
PRMT5 O14744 2/20 0.49

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
SCHEMBL978442 0.85 IGF1R (0.57) CSNK1A1CLK4MAOBMAPTPIK3CD
SCHEMBL977065 0.80 CSNK1A1 (0.71) CSNK1A1CLK4RAB9AMAPTMAOA
SCHEMBL30413191 0.80 CSNK1A1 (0.71) CSNK1A1CLK4RAB9AMAPTMAOA
SCHEMBL979231 0.78 CSNK1A1 (0.92) CSNK1A1CLK4GAASMN1; SMN2PIK3CG
SCHEMBL976667 0.78 CSNK1A1 (1.00) CSNK1A1CLK4GAASMN1; SMN2PIK3CG
SCHEMBL975971 0.77 DCPS (0.53) CSNK1A1CLK4MAPTMAOAL3MBTL1
SCHEMBL12922467 0.76 CSNK1A1 (0.63) CSNK1A1CLK4RAB9ASMN1; SMN2MAPT
SCHEMBL3398136 0.76 XDH (0.54) GAAMGAMSIMGAM2RAB9A
SCHEMBL9566532 0.76 DHFR (0.73) GAAMGAMSIMGAM2RAB9A
SCHEMBL12922477 0.74 CSNK1A1 (0.49) CSNK1A1CLK4RAB9AIGF1R

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 12 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
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 CSNK1A1 719/4885CLK4 1935/4885GAA 995/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CSNK1A1 4578/4885CLK4 4586/4885GAA 2982/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CSNK1A1 802/4885CLK4 1921/4885GAA 798/4885

“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.