SCHEMBL2260628

SCHEMBL2260628

O=C1Nc2cc([N+](=O)[O-])ccc2Nc2nnc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.64
CDK1 P06493 5/20 0.64
CDK2 P24941 5/20 0.64
CHEK2 O96017 4/20 0.64
GSK3A P49840 4/20 0.64
CDK5 Q00535 4/20 0.64
PRKAA1 Q13131 4/20 0.64
AURKB Q96GD4 4/20 0.64
KDR P35968 4/20 0.64
PLK4 O00444 3/20 0.64
AURKA O14965 3/20 0.64
FLT4 P35916 3/20 0.64
CSNK1D P48730 3/20 0.64
SGK2 Q9HBY8 3/20 0.64
DYRK1A Q13627 2/20 0.64
CAMK1 Q14012 2/20 0.64
MAPK9 P45984 1/20 0.64
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CAPN9 O14815 1/20 0.49

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
SCHEMBL2260312 0.79 GSK3B (1.00) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL8790887 0.75 MAPT (0.64) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL4856192 0.75 MEN1 (0.59) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL2260262 0.72 PLK4 (0.61) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL2265197 0.72 PLK4 (0.61) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL31273494 0.72 KMT2A (0.83) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL29242097 0.72 MEN1 (0.61) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL193560 0.72 MEN1 (0.61) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL31344376 0.72 MEN1 (0.61) GSK3BCDK1CDK2CHEK2GSK3A
SCHEMBL2261136 0.72 PLK4 (0.60) GSK3BCDK1CDK2CHEK2GSK3A

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-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-7994160-B2 Pyridazine compounds as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO. KG (DE) 2011-08-09 US disclosed
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors ABBOTT GMBH & CO. KG (DE) 2009-12-31 US 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 (1 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 GSK3B 1/4885CDK1 7/4885CDK2 32/4885

“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.