SCHEMBL1421049

SCHEMBL1421049

O=C(Nc1cnccn1)Nc1ccnc2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.70
CLK4 Q9HAZ1 7/20 0.70
CDK5 Q00535 7/20 0.70
PRKD3 O94806 6/20 0.70
MAP4K4 O95819 6/20 0.70
CLK2 P49760 6/20 0.70
DYRK1A Q13627 6/20 0.70
KDR P35968 5/20 0.70
CDK2 P24941 5/20 0.70
STK17A Q9UEE5 5/20 0.70
LIMK1 P53667 5/20 0.70
PIM3 Q86V86 4/20 0.70
AURKB Q96GD4 4/20 0.70
CDK1 P06493 4/20 0.70
CSNK1D P48730 4/20 0.70
CSNK2A1 P68400 4/20 0.70
STK3 Q13188 4/20 0.70
BRSK1 Q8TDC3 4/20 0.70
SGK2 Q9HBY8 3/20 0.70
HIPK4 Q8NE63 3/20 0.70

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
SCHEMBL1421498 0.90 CLK4 (0.70) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL4561276 0.84 CLK4 (0.62) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL31060264 0.82 CLK4 (1.00) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL3797148 0.82 CLK4 (1.00) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL31061009 0.82 GSK3B (1.00) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL3795310 0.82 GSK3B (1.00) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL10009219 0.80 CLK4 (0.48) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL10296674 0.79 CLK4 (0.71) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL12500696 0.79 GSK3B (0.72) GSK3BCLK4CDK5PRKD3MAP4K4
SCHEMBL3802577 0.78 CLK4 (0.70) GSK3BCLK4CDK5PRKD3MAP4K4

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 31 patents — showing the first 20. 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
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
EP-3351543-A1 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRIDIN-2-YL)UREA AND 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRAZINE-2-YL)UREA DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2018-07-25 EP disclosed
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-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
CN-102015718-B 1- (7-(hexahydropyrrolo [3, 4-C] pyrrol-2 (1H) -yl) quin0lin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) ABBOTT GMBH & CO KG 2014-12-10 CN disclosed
CN-102015718-A 1- (7-(hexahydropyrrolo [3, 4-C] pyrrol-2 (1H) -yl) quin0lin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) ABBOTT GMBH & CO KG 2011-04-13 CN disclosed
EP-2297154-A1 1- (7-(HEXAHYDROPYRROLO [3, 4-C]PYRROL-2 (1H) -YL) QUIN0LIN-4-YL) -3- (PYRAZIN-2-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) Abbott GmbH & Co. KG (DE) 2011-03-23 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
WO-2009130317-A1 1- (7-(HEXAHYDROPYRROLO [3, 4-C] PYRROL-2 (1H) -YL) QUIN0LIN-4-YL) -3- (PYRAZIN-2-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) ABBOTT GMBH & CO. KG (DE) 2009-10-29 WO 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 (3 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 GSK3B 1/4885CLK4 644/4885CDK5 152/4885
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 GSK3B 1/4885CLK4 1296/4885CDK5 168/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 GSK3B 1/4885CLK4 644/4885CDK5 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.