SCHEMBL9607818

SCHEMBL9607818

Nc1nnc(C2(c3ccccc3)CC2)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ADORA2A P29274 3/20 0.38
ADORA1 P30542 1/20 0.38
PDPK1 O15530 1/20 0.37
OPRM1 P35372 3/20 0.36
DRD4 P21917 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
DCPS Q96C86 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL9607809 0.95 CSNK1A1 (0.43) CSNK1A1CLK4ADORA2AADORA1PDPK1
SCHEMBL9607808 0.93 CSNK1A1 (0.42) CSNK1A1CLK4ADORA2AADORA1PDPK1
SCHEMBL17059172 0.83 OPRM1 (0.38) CLK4ADORA2AOPRM1DRD4PIK3CD
SCHEMBL976986 0.83 BACE1 (0.46) ADORA2AADORA1HSD11B1HSD11B2
SCHEMBL9607819 0.80 BACE1 (0.49) ADORA1OPRM1CYP2D6
SCHEMBL9607812 0.79 HSD11B1 (0.41) MEN1KMT2AHSD11B1HSD11B2
SCHEMBL1023748 0.79 BACE1 (0.51) HSD11B1HSD11B2
SCHEMBL1025471 0.79 BACE1 (0.48) HSD11B1HSD11B2
SCHEMBL9607820 0.78 ALDH1A1 (0.43) MEN1KMT2AHSD11B1HSD11B2
SCHEMBL978581 0.78 BACE1 (0.50) HSD11B1HSD11B2

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 CSNK1A1 862/4885CLK4 2470/4885ADORA2A 787/4885

“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.