SCHEMBL728404

SCHEMBL728404

O=C1NC(=O)C(c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)(N2CCN(c3ncccn3)CC2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.53
MMP9 P14780 20/20 0.53
MMP8 P22894 2/20 0.52
MMP13 P45452 2/20 0.52

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
SCHEMBL728143 0.89 MMP2 (0.57) MMP2MMP9MMP8MMP13
SCHEMBL726770 0.87 MMP2 (0.69) MMP2MMP9MMP8MMP13
SCHEMBL6689685 0.87 MMP2 (0.39) MMP2MMP9MMP8MMP13
SCHEMBL6442962 0.86 MMP2 (0.55) MMP2MMP9MMP8MMP13
SCHEMBL6449006 0.86 MMP2 (0.53) MMP2MMP9MMP8MMP13
SCHEMBL6462509 0.85 MMP2 (0.60) MMP2MMP9MMP8MMP13
SCHEMBL2532335 0.85 MMP2 (0.67) MMP2MMP9MMP8MMP13
SCHEMBL6690419 0.85 MMP2 (0.46) MMP2MMP9MMP8MMP13
SCHEMBL6443590 0.84 MMP2 (0.51) MMP2MMP9MMP8MMP13
SCHEMBL6445502 0.82 MMP2 (0.56) MMP2MMP9MMP8MMP13

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-8044035-B2 Pharmaceutical compositions of pyrimidine-2,4,6-triones UNIVERSITE DE LIEGE (BE) 2011-10-25 US claimed
JP-4787240-B2 2011-10-05 JP claimed
US-20100261672-A1 PHARMACEUTICAL COMPOSITIONS OF PYRIMIDINE-2,4,6-TRIONES UNIVERSITE DE LIEGE (BE) 2010-10-14 US claimed
EP-1737464-B1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF BRONCHIAL INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed
US-20070191404-A1 Pharmaceutical compositions of pyrimidine-2,4,6-triones HOFFMANN-LA ROCHE INC. 2007-08-16 US claimed
EP-1735007-A2 CYCLODEXTRIN INCLUSION COMPLEXES OF PYRIMIDINE-2,4,6-TRIONES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-27 EP claimed
WO-2005097058-A2 CYCLODEXTRIN INCLUSIONS COMPLEXES OF PYRIMIDINE-2,4,6-TRIONES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-20 WO claimed
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP claimed
WO-2004084902-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT OF CHRONIC WOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO claimed
US-6498252-B1 Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds HOFFMANN-LA ROCHE INC. 2002-12-24 US claimed
EP-1226128-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP claimed
WO-2001025217-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-12 WO claimed
US-8044035-B2 Pharmaceutical compositions of pyrimidine-2,4,6-triones UNIVERSITE DE LIEGE (BE) 2011-10-25 US disclosed
US-20100261672-A1 PHARMACEUTICAL COMPOSITIONS OF PYRIMIDINE-2,4,6-TRIONES UNIVERSITE DE LIEGE (BE) 2010-10-14 US disclosed
EP-1737464-B1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF BRONCHIAL INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-20070225253-A1 Use of a trioxopyrimidine for the treatment and prevention of bronchial inflammatory diseases F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US disclosed
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP disclosed
WO-2004110457-A1 MATRIX METALLOPROTEINASES INHIBITORS FOR THE STIMULATION AND PROTECTION OF BONE MARROW STEM CELLS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
WO-2004084902-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT OF CHRONIC WOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004084903-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF OCULAR PATHOLOGIC ANGIOGENESIS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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 (2 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-20070191404-A1 Pharmaceutical compositions of pyrimidine-2,4,6-triones TK1, TYMP, TYMS MMP2 4254/4885MMP9 4163/4885MMP8 3700/4885
US-20100261672-A1 PHARMACEUTICAL COMPOSITIONS OF PYRIMIDINE-2,4,6-TRIONES TYMP, DPYD, TYMS MMP2 4282/4885MMP9 4156/4885MMP8 4067/4885

“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.