SCHEMBL1134515

SCHEMBL1134515

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.65
▸ MAPT P10636 2/20 0.42
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ EPOR P19235 1/20 0.37

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
SCHEMBL1134630 0.95 KCNH2 (0.62) KCNH2MAPTPSMB8PSMB9PSMB5
SCHEMBL1428391 0.93 KCNH2 (0.56) KCNH2MAPTPSMB8PSMB9PSMB5
SCHEMBL2076563 0.89 KCNH2 (0.67) KCNH2MAPTCHRM4TDP1NPSR1
SCHEMBL1428409 0.89 KCNH2 (0.54) KCNH2MAPTPSMB8PSMB9PSMB5
Trifluoroacetic Acid SCHEMBL1134619 0.87 KCNH2 (0.63) KCNH2MAPTCHRM4TDP1EPOR
SCHEMBL1134585 0.87 MAPT (0.56) KCNH2MAPTSYKKLK7KLK5
SCHEMBL1134587 0.85 SYK (0.53) KCNH2MAPTSYKKLK7KLK5
SCHEMBL1134581 0.85 KCNH2 (0.72) KCNH2MAPTCHRM4TDP1EPOR
SCHEMBL11959315 0.84 KCNH2 (0.75) KCNH2MAPTHDAC1CHRM4TDP1
SCHEMBL12379736 0.84 KCNH2 (0.75) KCNH2MAPTHDAC1CHRM4TDP1

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
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-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-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 (1 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-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 KCNH2 18/4885MAPT 3578/4885PSMB8 3561/4885

“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.

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