SCHEMBL10296641

SCHEMBL10296641

O=C(Nc1cnccn1)Nc1ccnc2cc(CO)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.67
CLK4 Q9HAZ1 9/20 0.67
GSK3A P49840 8/20 0.67
CDK5 Q00535 7/20 0.67
CLK2 P49760 7/20 0.67
PRKD3 O94806 6/20 0.67
MAP4K4 O95819 6/20 0.67
DYRK1A Q13627 6/20 0.67
KDR P35968 6/20 0.67
STK17A Q9UEE5 6/20 0.67
CDK2 P24941 5/20 0.67
LIMK1 P53667 5/20 0.67
PIM3 Q86V86 4/20 0.67
AURKB Q96GD4 4/20 0.67
FLT4 P35916 4/20 0.67
BRSK1 Q8TDC3 4/20 0.67
SGK2 Q9HBY8 3/20 0.67
DYRK3 O43781 3/20 0.67
PLK4 O00444 2/20 0.67
CHEK2 O96017 2/20 0.67

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
SCHEMBL10296674 0.84 CLK4 (0.71) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL3802577 0.83 CLK4 (0.70) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL1421498 0.83 CLK4 (0.70) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL10008353 0.81 CLK2 (0.70) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL3802860 0.81 CLK4 (1.00) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL31061009 0.80 GSK3B (1.00) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL3795310 0.80 GSK3B (1.00) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL4561276 0.78 CLK4 (0.62) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL10296639 0.76 CLK4 (0.83) GSK3BCLK4GSK3ACDK5CLK2
SCHEMBL1421049 0.76 GSK3B (0.70) GSK3BCLK4GSK3ACDK5CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540370-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBVIE DEUTSCHLAND GMBH & CO., KG. (DE) 2017-01-10 US disclosed
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-01 US disclosed
US-9090592-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-28 US disclosed
WO-2012089828-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 WO disclosed
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 US 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 (2 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-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 GSK3B 1/4885CLK4 1296/4885GSK3A 2/4885
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 GSK3B 1/4885CLK4 1296/4885GSK3A 2/4885

“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.