SCHEMBL1134585

SCHEMBL1134585

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
SYK P43405 1/20 0.49
KCNH2 Q12809 2/20 0.46
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.42
PAX8 Q06710 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL1134587 0.97 SYK (0.53) MAPTSYKKCNH2KLK7KLK5
SCHEMBL1134515 0.87 KCNH2 (0.65) MAPTSYKKCNH2KLK7KLK5
SCHEMBL1134630 0.86 KCNH2 (0.62) MAPTSYKKCNH2KLK7KLK5
SCHEMBL1428391 0.85 KCNH2 (0.56) MAPTKCNH2
SCHEMBL1428409 0.84 KCNH2 (0.54) MAPTKCNH2L3MBTL1POLBMAPK1
SCHEMBL1134520 0.82 SCNN1A (0.36) SYKKCNH2ITGB3ITGA2B
SCHEMBL20358408 0.81 SYK (0.72) MAPTSYKKLK7KLK5L3MBTL1
SCHEMBL20365967 0.81 SYK (0.72) MAPTSYKKLK7KLK5L3MBTL1
SCHEMBL19295567 0.80 SYK (0.71) MAPTSYKKLK7KLK5L3MBTL1
SCHEMBL30915254 0.79 MAPT (0.62) MAPTSYKKLK7KLK5ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 EP disclosed
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 US disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 WO disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 MAPT 1914/4885SYK 4070/4885KCNH2 49/4885
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B MAPT 3578/4885SYK 3285/4885KCNH2 18/4885

“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.