SCHEMBL2638890

SCHEMBL2638890

COc1cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)[nH]n2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 10/20 0.58
CXCL12 P48061 2/20 0.52
CHEK1 O14757 2/20 0.50
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
GSK3B P49841 2/20 0.47
APP P05067 1/20 0.45
ALOX5 P09917 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT3 P40763 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL2943479 0.90 CYP1A2 (0.47) AMY1ACXCL12CHEK1CYP1A1CYP1A2
SCHEMBL2941252 0.88 CYP1A2 (0.46) AMY1ACXCL12CHEK1CYP1A1CYP1A2
SCHEMBL2951702 0.87 PDE4A (0.52) CHEK1CYP1A1CYP1A2CYP1B1GSK3B
SCHEMBL2949840 0.87 DGAT1 (0.48) AMY1ACHEK1CYP1A1CYP1A2CYP1B1
SCHEMBL5766502 0.86 CHEK1 (0.47) AMY1ACHEK1CYP1A1CYP1A2CYP1B1
SCHEMBL7395696 0.84 AMY1A (0.77) AMY1ACXCL12CHEK1CYP1A1CYP1A2
SCHEMBL2950639 0.80 GSK3B (0.66) AMY1AGSK3B
SCHEMBL2941248 0.77 GSK3B (0.49) AMY1AGSK3B
SCHEMBL13237044 0.75 HPGD (0.45) AMY1AGSK3B
SCHEMBL7395692 0.75 AMY1A (0.62) AMY1ACXCL12CHEK1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792455-B2 2011-10-12 JP 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 claimed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US claimed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 US claimed
EP-1723137-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES Aventis Pharma S.A. (FR) 2006-11-22 EP claimed
WO-2005085231-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2005-09-15 WO claimed
US-7754713-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2010-07-13 US disclosed
US-7754713-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2010-07-13 US disclosed
US-7754713-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2010-07-13 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-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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 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
EP-1723137-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES Aventis Pharma S.A. (FR) 2006-11-22 EP disclosed
WO-2005085231-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2005-09-15 WO 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 (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-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives CDK2, CDK1, CDK4 AMY1A 4649/4885CXCL12 2053/4885CHEK1 72/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB AMY1A 1680/4885CXCL12 4162/4885CHEK1 992/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 AMY1A 4605/4885CXCL12 2211/4885CHEK1 79/4885

“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.