SCHEMBL2950654

SCHEMBL2950654

O=C(O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.53
▸ DHODH Q02127 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ GSK3A P49840 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ ALPL P05186 7/20 0.44
▸ CA12 O43570 4/20 0.44
▸ RPA1 P27694 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
Hydrochloric Acid SCHEMBL11243227 0.98 GSK3B (0.52) GSK3BDHODHALDH1A1GAATP53
Hydrochloric Acid SCHEMBL11246491 0.90 GSK3B (0.47) GSK3BDHODHALDH1A1GAATP53
SCHEMBL1925580 0.87 TP53 (0.62) GSK3BDHODHGAATP53ALPL
SCHEMBL11246270 0.86 CASP1 (0.54) GSK3BGSK3ADYRK1ACASP1MAPT
SCHEMBL1927068 0.84 TP53 (0.58) GSK3BDHODHGAATP53ALPL
SCHEMBL4854459 0.84 ALPL (0.64) GSK3BTP53ALPLCA12RPA1
SCHEMBL4853168 0.83 ALDH1A1 (0.58) DHODHALDH1A1GAATP53HDAC3
SCHEMBL20471668 0.83 ALPL (0.65) DHODHALPLCA12CA9MAPT
SCHEMBL20471245 0.83 ALPL (0.65) GSK3BDHODHALDH1A1TP53ALPL
SCHEMBL1750449 0.82 GSK3B (0.61) GSK3BALDH1A1GAATP53GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US claimed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP claimed
EP-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 — — EP claimed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 — — US claimed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 — — WO claimed
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-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
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 disclosed
US-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-09 — — US disclosed
WO-2004046117-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-03 — — WO disclosed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 — — WO disclosed
US-4590194-A 3-[methyl or dimethyl)amino]-6-(pyridinyl)pyridazines and their cardiotonic use STERLING DRUG INC. (US) 1986-05-20 — — US disclosed
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 — — US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 — — US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 — — US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 — — US 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-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them ADRA2C, ADRA1A, ADRA1B GSK3B 3654/4885DHODH 4390/4885ALDH1A1 186/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GSK3B 3708/4885DHODH 3864/4885ALDH1A1 370/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 GSK3B 757/4885DHODH 1720/4885ALDH1A1 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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