SCHEMBL477987

SCHEMBL477987

O=C1Nc2ccc(C(F)(F)F)cc2Oc2nnc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 4/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
PLK4 O00444 2/20 0.43
AURKA O14965 2/20 0.43
CHEK2 O96017 2/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
CSNK1D P48730 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
CDK5 Q00535 2/20 0.43
PRKAA1 Q13131 2/20 0.43
DYRK1A Q13627 2/20 0.43
CAMK1 Q14012 2/20 0.43
AURKB Q96GD4 2/20 0.43
SGK2 Q9HBY8 2/20 0.43

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
SCHEMBL477755 0.90 JUN (0.64) JUNNFKB1NFKB2RELAPLK4
SCHEMBL477936 0.82 ALDH1A1 (0.46) JUNNFKB1NFKB2RELAPLK4
SCHEMBL477794 0.76 PLK4 (0.47) JUNNFKB1NFKB2RELAPLK4
SCHEMBL477840 0.74 CDK5 (0.45) JUNNFKB1NFKB2RELAPLK4
SCHEMBL944523 0.72 ABL1 (0.42) JUNNFKB1NFKB2RELAPLK4
SCHEMBL18448706 0.71 ACE2 (0.45) JUNNFKB1NFKB2RELAACE2
SCHEMBL6110917 0.70 SCD (0.48)
SCHEMBL1366016 0.69 MAPT (0.58) JUNNFKB1NFKB2RELAACE2
SCHEMBL26351818 0.69 ACE2 (0.50) JUNNFKB1NFKB2RELACDK1
SCHEMBL31098215 0.67 ACE2 (0.56) JUNNFKB1NFKB2RELAACE2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994160-B2 Pyridazine compounds as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO. KG (DE) 2011-08-09 US claimed
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors ABBOTT GMBH & CO. KG (DE) 2009-12-31 US claimed
EP-1902055-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2008-03-26 EP claimed
WO-2007006566-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2007-01-18 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
EP-2411379-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-12-17 EP 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
US-8455648-B2 1-(7-(hexahydropyrrolo [3,4-c] pyrrol-2 (1H)-yl) quinolin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) ABBOTT GMBH & CO. KG (DE) 2013-06-04 US disclosed
EP-2297154-B1 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) INHIBITORS ABBOTT GMBH & CO KG (DE) 2013-04-03 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
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-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-01-06 US 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-2010109005-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-09-30 WO disclosed
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors ABBOTT GMBH & CO. KG (DE) 2009-12-31 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 (4 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-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 JUN 2894/4885NFKB1 2741/4885NFKB2 2423/4885
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 JUN 3890/4885NFKB1 3003/4885NFKB2 2745/4885
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 JUN 3351/4885NFKB1 2480/4885NFKB2 2080/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 JUN 3351/4885NFKB1 2480/4885NFKB2 2080/4885

“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.