SCHEMBL477794

SCHEMBL477794

O=C1Nc2cc(Cl)ccc2Oc2nnc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
CHEK2 O96017 2/20 0.47
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
CSNK1D P48730 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
CDK5 Q00535 2/20 0.47
PRKAA1 Q13131 2/20 0.47
DYRK1A Q13627 2/20 0.47
CAMK1 Q14012 2/20 0.47
AURKB Q96GD4 2/20 0.47
SGK2 Q9HBY8 2/20 0.47
MAPK9 P45984 1/20 0.47
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL477840 0.86 CDK5 (0.45) PLK4AURKACHEK2CDK1CDK2
SCHEMBL477755 0.84 JUN (0.64) PLK4AURKACHEK2CDK1CDK2
SCHEMBL944523 0.83 ABL1 (0.42) PLK4AURKACHEK2CDK1CDK2
SCHEMBL477936 0.78 ALDH1A1 (0.46) PLK4AURKACHEK2CDK1CDK2
SCHEMBL9178423 0.77 HTR2A (0.54) JUNNFKB1NFKB2RELACES1
SCHEMBL477987 0.76 JUN (0.52) PLK4AURKACHEK2CDK1CDK2
SCHEMBL172370 0.74 LMNA (0.58) CES1CHEK1TGM2PPOXLMNA
SCHEMBL11505743 0.71 CES1 (0.45) JUNNFKB1NFKB2RELACES1
SCHEMBL31098212 0.69 CES1 (0.45) KDRJUNNFKB1NFKB2RELA
SCHEMBL9180628 0.69 CHEK1 (0.43) JUNNFKB1NFKB2RELACES1

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 26 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
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
EP-1902055-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2008-03-26 EP disclosed
WO-2007006566-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2007-01-18 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-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 PLK4 39/4885AURKA 337/4885CHEK2 104/4885
US-20140148458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 PLK4 82/4885AURKA 332/4885CHEK2 228/4885
US-20100324042-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS GSK3B, GSK3A, GYS2 PLK4 82/4885AURKA 332/4885CHEK2 228/4885

“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.