SCHEMBL3797148

SCHEMBL3797148

O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 15/20 1.00
GSK3B P49841 13/20 1.00
CLK2 P49760 10/20 1.00
CDK5 Q00535 9/20 1.00
PRKD3 O94806 8/20 1.00
STK17A Q9UEE5 7/20 1.00
KDR P35968 7/20 1.00
MAP4K4 O95819 7/20 1.00
DYRK1A Q13627 7/20 1.00
CDK2 P24941 6/20 1.00
AURKB Q96GD4 6/20 1.00
STK3 Q13188 6/20 1.00
HIPK4 Q8NE63 6/20 1.00
LIMK1 P53667 5/20 1.00
PIM3 Q86V86 5/20 1.00
CDK1 P06493 5/20 1.00
CSNK2A1 P68400 5/20 1.00
DYRK3 O43781 4/20 1.00
BRSK1 Q8TDC3 4/20 1.00
CSNK1D P48730 4/20 1.00

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
SCHEMBL31060264 1.00 CLK4 (1.00) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL3802860 0.91 CLK4 (1.00) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL1421049 0.82 GSK3B (0.70) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL3804165 0.81 CLK4 (0.67) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL31061009 0.79 GSK3B (1.00) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL3795310 0.79 GSK3B (1.00) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL9998696 0.79 CLK4 (0.65) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL5368898 0.77 KDM4E (0.71) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL10296674 0.76 CLK4 (0.71) CLK4GSK3BCLK2CDK5PRKD3
SCHEMBL12500696 0.76 GSK3B (0.72) CLK4GSK3BCLK2CDK5PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856234-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US claimed
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US claimed
US-8642598-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBVIE INC. (US) 2014-02-04 US claimed
EP-2091943-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2013-11-20 EP claimed
EP-2535336-A1 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors Abbott GmbH & Co. KG (DE) 2012-12-19 EP claimed
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG. (DE) 2010-12-23 US claimed
US-9856234-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US disclosed
US-8642598-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
EP-2091943-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2013-11-20 EP disclosed
EP-2535336-A1 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors Abbott GmbH & Co. KG (DE) 2012-12-19 EP disclosed
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG. (DE) 2010-12-23 US disclosed
EP-2091943-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2009-08-26 EP disclosed
WO-2008046919-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-04-24 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 (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-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 CLK4 644/4885GSK3B 1/4885CLK2 270/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 CLK4 644/4885GSK3B 1/4885CLK2 270/4885

“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.