SCHEMBL3800344

SCHEMBL3800344

O=C(Nc1cnccn1)Nc1cccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.74
GSK3B P49841 5/20 0.74
CDK5 Q00535 5/20 0.74
PRKD3 O94806 4/20 0.74
MAP4K4 O95819 4/20 0.74
CLK2 P49760 4/20 0.74
DYRK1A Q13627 4/20 0.74
CLK4 Q9HAZ1 4/20 0.74
LIMK1 P53667 3/20 0.74
CDK8 P49336 3/20 0.74
CHEK1 O14757 2/20 0.74
PIM1 P11309 2/20 0.74
PRKAA1 Q13131 2/20 0.74
CDK9 P50750 2/20 0.74
DYRK1B Q9Y463 2/20 0.74
DAPK3 O43293 1/20 0.74
NTRK1 P04629 1/20 0.74
RET P07949 1/20 0.74
MET P08581 1/20 0.74
FGFR1 P11362 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
SCHEMBL3802149 0.90 CDK5 (0.68) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3799598 0.90 CDK5 (0.68) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3798638 0.88 GSK3A (0.64) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3805910 0.84 CDK5 (0.83) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3797427 0.82 MEN1 (0.63) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3800165 0.82 GSK3A (0.61) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL31061009 0.82 GSK3B (1.00) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL3795310 0.82 GSK3B (1.00) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL4562332 0.82 GSK3A (0.56) GSK3AGSK3BCDK5PRKD3MAP4K4
SCHEMBL14517926 0.81 PRKD3 (0.75) GSK3AGSK3BCDK5PRKD3MAP4K4

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 8 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 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 GSK3A 2/4885GSK3B 1/4885CDK5 152/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 GSK3A 2/4885GSK3B 1/4885CDK5 152/4885

“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.