SCHEMBL5202584

SCHEMBL5202584

Nc1c(Cl)cc(Cl)c[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL2696696 0.77
SCHEMBL7853890 0.73 CYP3A4 (0.37) TSHRCYP3A4GAAALDH1A1TP53
SCHEMBL14934971 0.73 ALDH1A1 (0.37) TSHRCYP3A4GAAALDH1A1CA1
SCHEMBL30159594 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10711295 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15887770 0.67
SCHEMBL11836785 0.64 HTR1A (0.33) CA1CA2CA9
SCHEMBL891486 0.62
SCHEMBL2112663 0.62 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19031925 0.62 ERN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935239-B1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI SA (FR) 2018-08-29 EP claimed
US-9611250-B2 Process for preparing 4-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridyl)-5-methoxypyridine-2-carboxamide SANOFI (FR) 2017-04-04 US claimed
US-20150307474-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2015-10-29 US claimed
EP-2935239-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2015-10-28 EP claimed
WO-2014083106-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2014-06-05 WO claimed
EP-2935239-B1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI SA (FR) 2018-08-29 EP disclosed
US-9611250-B2 Process for preparing 4-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridyl)-5-methoxypyridine-2-carboxamide SANOFI (FR) 2017-04-04 US disclosed
US-20150307474-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2015-10-29 US disclosed
EP-2935239-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2015-10-28 EP disclosed
WO-2014083106-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE SANOFI (FR) 2014-06-05 WO disclosed
CN-101124229-B Novel heterocyclic compounds for the treatment of inflammatory and allergic disorders GLENMARK PHARMACEUTICALS SA 2012-07-18 CN disclosed
EP-1664024-B1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORP (US) 2007-07-11 EP disclosed
US-7129357-B2 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors SCHERING CORPORATION (US) 2006-10-31 US disclosed
EP-1664024-A1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20050124655-A1 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors SCHERING CORPORATION 2005-06-09 US disclosed
WO-2005028471-A1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORPORATION (US) 2005-03-31 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-20050124655-A1 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors PDE3B, PDE4A, PDE5A TSHR 3645/4885CYP3A4 166/4885GAA 646/4885
US-20150307474-A1 PROCESS FOR PREPARING 4-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXIDO-4-PYRIDYL)-5-METHOXYPYRIDINE-2-CARBOXAMIDE CYP3A4, CYP4B1, CYP3A5 TSHR 3236/4885CYP3A4 1/4885GAA 2452/4885

“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.