Sugi Predict

Sugi Predict / Compounds / SCHEMBL2641749

SCHEMBL2641749

SCHEMBL2641749

CCCCNc1nccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)[nH]n2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.47
▸ EIF2AK2 P19525 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.42
▸ METAP2 P50579 2/20 0.40
▸ METAP1 P53582 2/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ IDH1 O75874 5/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ AMY1A P0DUB6 4/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ GAS6 Q14393 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL2951692 0.88 GSK3B (0.45) GSK3BCBFBCDC7FLT3
SCHEMBL2944211 0.83 IDH1 (0.43) GSK3BEIF2AK2IDH1
SCHEMBL2638251 0.79 IDH1 (0.51) METAP2METAP1CBFBIDH1
SCHEMBL2951739 0.78 HPGD (0.46) GSK3BMETAP2METAP1CBFBAMY1A
SCHEMBL2638124 0.78 IDH1 (0.45) GSK3BIDH1
SCHEMBL3543353 0.78 GSK3B (0.47) GSK3BEIF2AK2CDC7SYK
SCHEMBL3534156 0.77 GSK3B (0.48) GSK3BEIF2AK2UTS2R
SCHEMBL3538590 0.76 GSK3B (0.47) GSK3BEIF2AK2
SCHEMBL4857179 0.74 GSK3B (0.65) GSK3BEIF2AK2CDC7MERTK
SCHEMBL4856852 0.73 GSK3B (0.66) GSK3BFLT3TYRO3MERTKGAS6

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 31 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
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 — — EP claimed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 — — US claimed
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 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-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 GSK3B 724/4885EIF2AK2 689/4885UTS2R 2575/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB GSK3B 1/4885EIF2AK2 1737/4885UTS2R 3798/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 GSK3B 757/4885EIF2AK2 691/4885UTS2R 2746/4885

“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.