SCHEMBL3795773

SCHEMBL3795773

O=C(Nc1ccccn1)Nc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 15/20 0.74
GSK3B P49841 12/20 0.74
GSK3A P49840 11/20 0.74
KDR P35968 6/20 0.74
AURKB Q96GD4 6/20 0.74
HIPK4 Q8NE63 6/20 0.74
MAP4K4 O95819 5/20 0.74
PRKD3 O94806 5/20 0.74
STK3 Q13188 5/20 0.74
PBK Q96KB5 4/20 0.74
PRKD2 Q9BZL6 3/20 0.74
SRPK1 Q96SB4 3/20 0.74
MAP3K20 Q9NYL2 3/20 0.74
CSNK1G3 Q9Y6M4 2/20 0.74
MARK3 P27448 1/20 0.74
MAPKAPK2 P49137 1/20 0.74
PRKCZ Q05513 1/20 0.74
PRKAA1 Q13131 1/20 0.74
PAK1 Q13153 1/20 0.74
TAOK1 Q7L7X3 1/20 0.74

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
SCHEMBL10008456 0.85 CLK4 (1.00) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL3802860 0.85 CLK4 (1.00) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL12663381 0.82 CLK4 (0.54) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL10296624 0.81 PIM1 (0.73) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL3798480 0.80 CLK4 (0.71) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL27299059 0.79 CLK4 (0.63) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL4569972 0.77 CLK4 (0.61) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL3797148 0.76 CLK4 (1.00) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL31060264 0.76 CLK4 (1.00) CLK4GSK3BGSK3AKDRAURKB
SCHEMBL4569971 0.76 CLK4 (0.60) CLK4GSK3BGSK3AKDRAURKB

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 18 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
CN-101573352-A Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO KG (DE) 2009-11-04 CN claimed
EP-2091943-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2009-08-26 EP claimed
WO-2008046919-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-04-24 WO 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
CN-101573352-A Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO KG (DE) 2009-11-04 CN 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 1/4885GSK3A 2/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 CLK4 644/4885GSK3B 1/4885GSK3A 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.