SCHEMBL3542919

SCHEMBL3542919

Cc1cc(-c2cc(-c3nc4ccc(CN5CCCOCC5)cc4[nH]3)c(=O)[nH]n2)cc(C)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.79
FGFR1 P11362 7/20 0.49
FGFR2 P21802 5/20 0.49
FGFR3 P22607 5/20 0.49
KDR P35968 5/20 0.49
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AURKA O14965 11/20 0.44
AURKB Q96GD4 11/20 0.44
CDK1 P06493 8/20 0.44
CCNB1 P14635 8/20 0.44
CDK2 P24941 7/20 0.44
PDPK1 O15530 1/20 0.44
FLT1 P17948 2/20 0.43
BMPR1B O00238 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 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
SCHEMBL3534889 0.88 GSK3B (1.00) GSK3BFGFR1FGFR2FGFR3KDR
SCHEMBL3423433 0.82 GSK3B (0.61) GSK3BCHEK1MAPK8
SCHEMBL3423290 0.77 GSK3B (0.63) GSK3BCHEK1
SCHEMBL3533605 0.76 GSK3B (0.77) GSK3BFGFR1FGFR2FGFR3KDR
SCHEMBL3539736 0.76 GSK3B (0.77) GSK3BFGFR1FGFR2FGFR3KDR
SCHEMBL2950639 0.76 GSK3B (0.66) GSK3BHDAC6
SCHEMBL3541775 0.76 GSK3B (0.77) GSK3BFGFR1FGFR2FGFR3KDR
SCHEMBL30434521 0.75 GSK3B (0.51) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL148677 0.75 GSK3B (0.51) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL3537777 0.75 GSK3B (0.76) GSK3BFGFR1FGFR2FGFR3KDR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US claimed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
EP-1725543-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085230-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB GSK3B 1/4885FGFR1 1854/4885FGFR2 2629/4885

“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.