SCHEMBL978482

SCHEMBL978482

Nc1cnc(-c2cccc3c2OC(F)(F)O3)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
MPO P05164 1/20 0.37
SCN2A Q99250 1/20 0.37
KRAS P01116 1/20 0.35
ADORA2A P29274 4/20 0.35
USP1 O94782 3/20 0.33
PTPN11 Q06124 3/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL12922484 0.81 CYP2D6 (0.49) ATRMPOSCN2AKRASADORA2A
SCHEMBL18983858 0.78 MPO (0.35) ATRMPOKRASADORA2AUSP1
SCHEMBL8884850 0.71 MPO (0.38) ATRMPOKRASADORA2AUSP1
SCHEMBL18983564 0.69 MPO (0.34) ATRMPOADORA2AUSP1KCNH2
SCHEMBL8884371 0.69 MPO (0.40) ATRMPOADORA2AUSP1JAK2
SCHEMBL18253155 0.69 MAPT (0.36) ATRKRASUSP1JAK2JAK3
SCHEMBL2413873 0.67 SCN2A (0.44) ATRSCN2ABACE1
SCHEMBL8952083 0.67 GPR3 (0.38) MPOUSP1JAK2JAK3PTK2
SCHEMBL334653 0.67 MPO (0.39) ATRMPOADORA2APTPN11FFAR4
SCHEMBL976695 0.66 SCN2A (0.62) SCN2APTPN11KCNH2

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 9 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
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US 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 ATR 2689/4885MPO 2588/4885SCN2A 10/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A ATR 1113/4885MPO 2024/4885SCN2A 24/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A ATR 2500/4885MPO 2973/4885SCN2A 9/4885

“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.