SCHEMBL2944943

SCHEMBL2944943

COC(=O)c1ccc(N)c(NC(=O)c2cc(-c3ccncc3)n[nH]c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.47
▸ GSK3B P49841 2/20 0.45
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ DYRK1A Q13627 4/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ IKBKE Q14164 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ DYRK1B Q9Y463 3/20 0.41
▸ LNPEP Q9UIQ6 3/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ ITK Q08881 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39

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
SCHEMBL13987019 0.82 GSK3B (0.50) HDAC1GSK3BHDAC2HDAC3DYRK1A
SCHEMBL4851380 0.78 GSK3B (0.58) HDAC1GSK3BHDAC2HDAC3GSK3A
SCHEMBL13987014 0.77 GSK3B (0.50) HDAC1GSK3BHDAC2HDAC3DYRK1A
SCHEMBL1750449 0.74 GSK3B (0.61) HDAC1GSK3BHDAC2HDAC3DYRK1A
SCHEMBL4856612 0.72 GSK3B (0.49) GSK3B
SCHEMBL13987016 0.72 MAPT (0.47) GSK3BDYRK1AGSK3A
SCHEMBL13986950 0.72 GSK3B (0.59) HDAC1GSK3BHDAC2HDAC3DYRK1A
SCHEMBL27707706 0.71 HDAC2 (0.46) HDAC1HDAC2HDAC3IKBKETBK1
SCHEMBL4854637 0.71 GSK3B (0.55) HDAC1GSK3BHDAC2HDAC3DYRK1A
SCHEMBL14375208 0.70 GSK3B (0.47) HDAC1GSK3BHDAC2HDAC3DYRK1A

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-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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 — — US disclosed
US-7470689-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2008-12-30 — — 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
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

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 HDAC1 438/4885GSK3B 724/4885HDAC2 421/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB HDAC1 548/4885GSK3B 1/4885HDAC2 590/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 HDAC1 465/4885GSK3B 757/4885HDAC2 430/4885

“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.

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