SCHEMBL2944211

SCHEMBL2944211

CCNc1nccc(-c2cc(-c3nc4cc(Cl)ccc4[nH]3)c(=O)[nH]n2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.43
PDPK1 O15530 1/20 0.41
EIF2AK2 P19525 2/20 0.40
GSK3B P49841 1/20 0.40
AKT3 Q9Y243 1/20 0.38
BRAF P15056 1/20 0.38
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL2638124 0.89 IDH1 (0.45) IDH1PDPK1GSK3B
SCHEMBL2641749 0.83 GSK3B (0.47) IDH1EIF2AK2GSK3B
SCHEMBL13264863 0.79 GSK3B (0.41) IDH1PDPK1GSK3B
SCHEMBL3543353 0.77 GSK3B (0.47) EIF2AK2GSK3B
SCHEMBL3534156 0.76 GSK3B (0.48) EIF2AK2GSK3B
SCHEMBL3536417 0.76 GSK3B (0.48) GSK3B
SCHEMBL3538590 0.75 GSK3B (0.47) EIF2AK2GSK3B
SCHEMBL13312969 0.74 GSK3B (0.49) IDH1GSK3BHRH4
SCHEMBL13312982 0.74 GSK3B (0.46) PDPK1GSK3B
SCHEMBL2638251 0.74 IDH1 (0.51) IDH1

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 25 patents — showing the first 20. 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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US 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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US disclosed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US disclosed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 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 IDH1 464/4885PDPK1 112/4885EIF2AK2 689/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB IDH1 524/4885PDPK1 15/4885EIF2AK2 1737/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 IDH1 475/4885PDPK1 105/4885EIF2AK2 691/4885

“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.