SCHEMBL1134520

SCHEMBL1134520

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 9/20 0.36
CTSA P10619 2/20 0.36
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
SYK P43405 1/20 0.35
GRM5 P41594 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1428331 0.89 SCNN1A (0.40) SCNN1ACTSASYKGRM5
SCHEMBL1134532 0.89 SCNN1A (0.40) SCNN1ACTSASYKGRM5
SCHEMBL1134585 0.82 MAPT (0.56) ITGB3ITGA2BSYKKCNH2
SCHEMBL1134587 0.80 SYK (0.53) SYKKCNH2
SCHEMBL1134522 0.79 TDP1 (0.40) SCNN1AKCNH2
SCHEMBL18379445 0.78 SYK (0.44) ITGB3ITGA2BSYK
SCHEMBL1134515 0.77 KCNH2 (0.65) SYKKCNH2
SCHEMBL1428391 0.76 KCNH2 (0.56) SCNN1AKCNH2
SCHEMBL1134533 0.75 TDP1 (0.49) SCNN1AKCNH2
SCHEMBL19295568 0.74 MEN1 (0.45) ITGB3ITGA2BSYK

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 SCNN1A 52/4885CTSA 4124/4885ITGB3 3004/4885
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 SCNN1A 7/4885CTSA 3969/4885ITGB3 3744/4885

“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.