SCHEMBL9607819

SCHEMBL9607819

COc1ccc(C2(c3nnc(N)nc3N)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
DCAF15 Q66K64 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
COMT P21964 1/20 0.38
DHFR P00374 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9607813 0.96 BACE1 (0.54) BACE1ALDH1A1CYP2D6ATMHEXA
SCHEMBL9607811 0.94 BACE1 (0.54) BACE1ALDH1A1CYP2D6ATMHEXA
SCHEMBL9607818 0.80 CSNK1A1 (0.44) CYP2D6ADORA1OPRM1
SCHEMBL9607812 0.79 HSD11B1 (0.41) BACE1ALDH1A1
SCHEMBL9607820 0.78 ALDH1A1 (0.43) BACE1ALDH1A1
SCHEMBL1025471 0.76 BACE1 (0.48) BACE1
SCHEMBL1023748 0.76 BACE1 (0.51) BACE1ALDH1A1SLC6A4SLC6A3
SCHEMBL9607809 0.75 CSNK1A1 (0.43) ALDH1A1ADORA1OPRM1
SCHEMBL978581 0.75 BACE1 (0.50) BACE1ALDH1A1SLC6A4SLC6A3
SCHEMBL9607808 0.74 CSNK1A1 (0.42) ALDH1A1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451807-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-09-02 EP disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
WO-2011004196-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 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 (1 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-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN1B, HCN3, SCN5A BACE1 3999/4885ALDH1A1 2516/4885CYP2D6 2096/4885

“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.