SCHEMBL2946867

SCHEMBL2946867

CCNc1nccc(-c2cc(C(=O)OCC)c(=O)[nH]n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.49
▸ PDPK1 O15530 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NUDT1 P36639 1/20 0.40
▸ CDK5 Q00535 5/20 0.40
▸ CDK5R1 Q15078 5/20 0.40
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL2947276 0.86 GSK3B (0.52) GSK3BPDPK1
SCHEMBL5254880 0.83 GSK3B (0.42) GSK3BPDPK1RAB9ANPSR1CDK5
SCHEMBL5257150 0.79 PDPK1 (0.43) GSK3BPDPK1NPSR1KMT2A
SCHEMBL4854587 0.77 POLB (0.49) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL4857179 0.76 GSK3B (0.65) GSK3BPDPK1
SCHEMBL13987028 0.75 GSK3B (0.56) GSK3BPDPK1KDM4EKMT2A
SCHEMBL21001735 0.75 KDM4E (0.45) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL1750739 0.74 CASP1 (0.60) GSK3BALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4854990 0.73 AURKB (0.46) GSK3BPDPK1
SCHEMBL21001719 0.73 ALPL (0.50) ALDH1A1MAPTLMNAL3MBTL1RAB9A

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 GSK3B 724/4885PDPK1 112/4885ALDH1A1 1700/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB GSK3B 1/4885PDPK1 15/4885ALDH1A1 1912/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 GSK3B 757/4885PDPK1 105/4885ALDH1A1 1627/4885

“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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