SCHEMBL3716773

SCHEMBL3716773

Cc1c(-c2ccnn2CI)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.76

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
SCHEMBL25359179 0.95 ELANE (0.83) ELANE
Alvelestat SCHEMBL29989873 0.92 ELANE (0.91) ELANE
Alvelestat SCHEMBL3021295 0.92 ELANE (0.91) ELANE
Alvelestat SCHEMBL29740084 0.87 ELANE (1.00) ELANE
Alvelestat SCHEMBL560757 0.87 ELANE (1.00) ELANE
Alvelestat SCHEMBL29519811 0.87 ELANE (1.00) ELANE
Alvelestat SCHEMBL30179302 0.87 ELANE (1.00) ELANE
Alvelestat SCHEMBL3024664 0.85 ELANE (0.85) ELANE
SCHEMBL4126035 0.80 ELANE (0.74) ELANE
SCHEMBL560680 0.79 ELANE (0.74) ELANE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106757-B1 METHODS INVOLVING NEUTROPHIL ELASTASE INHIBITOR ALVELESTAT FOR TREATING RESPIRATORY DISEASE MEDIATED BY ALPHA-1 ANTITRYPSIN DEFICIENCY MEREO BIOPHARMA 4 LTD (GB) 2023-08-23 EP disclosed
CN-102405219-B Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of COPD ASTRAZENECA AB 2013-11-06 CN disclosed
CN-102405219-A Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of copd ASTRAZENECA AB 2012-04-04 CN disclosed
EP-2398792-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD AstraZeneca AB (SE) 2011-12-28 EP disclosed
WO-2010094964-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD ASTRAZENECA AB (SE) 2010-08-26 WO disclosed