SCHEMBL1814531

SCHEMBL1814531

COc1ccc(CNc2cccc(N3CCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.54
HRH1 P35367 2/20 0.48
CLK4 Q9HAZ1 6/20 0.48
DYRK1A Q13627 3/20 0.48
GALR2 O43603 1/20 0.48
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
PTGDR Q13258 1/20 0.46
CLK1 P49759 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL22121155 0.76 MAPT (0.64) MAPTTP53MEN1KMT2A
SCHEMBL2600009 0.75 CLK4 (0.55) CLK4DYRK1AMAPTPTGDRCLK1
SCHEMBL6106870 0.75 CLK4 (0.55) CLK4DYRK1AMAPTPTGDRCLK1
SCHEMBL29448057 0.75 CLK4 (0.55) CLK4DYRK1AMAPTPTGDRCLK1
SCHEMBL18176132 0.73 TRPV3 (0.47) MEN1KMT2A
SCHEMBL13326030 0.72 GBA1 (0.61) HRH4HRH1GALR2MAPTBACE1
SCHEMBL30794781 0.72 GALR2 (0.52) CLK4GALR2ACHEBACE1RAB9A
SCHEMBL2144250 0.72 CLK4 (0.46) CLK4DYRK1AMAPTTP53PTGDR
SCHEMBL2144558 0.71 CLK4 (0.53) CLK4DYRK1AMAPTTP53PTGDR
SCHEMBL7171131 0.71 CLK4 (0.50) CLK4DYRK1AMAPTPTGDRCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
CN-102725291-A Bicyclic pyridines and analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-10-10 CN disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH4 2779/4885HRH1 2829/4885CLK4 770/4885

“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.