SCHEMBL1134590

SCHEMBL1134590

CCC[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)NC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 10/20 0.46
CTSA P10619 2/20 0.40
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 7/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 7/20 0.38
GLA P06280 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2D6 P10635 4/20 0.38
GAA P10253 3/20 0.38
THPO P40225 3/20 0.38
FTO Q9C0B1 2/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 4/20 0.38
BLM P54132 2/20 0.38
PLAU P00749 2/20 0.38

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
SCHEMBL1134558 1.00 SCNN1A (0.46) SCNN1ACTSAALDH1A1HSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL1134627 0.94 SCNN1A (0.41) SCNN1ACTSAALDH1A1HSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL1134547 0.94 SCNN1A (0.41) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL2076386 0.90 SCNN1A (0.45) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL27834089 0.89 CTSA (0.46) SCNN1ACTSAALDH1A1HSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL1134573 0.84 SCNN1A (0.40) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL1428331 0.83 SCNN1A (0.40) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL1134532 0.83 SCNN1A (0.40) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL17809068 0.81 SCNN1A (0.47) SCNN1ACTSAALDH1A1HSD17B10KDM4E
SCHEMBL1134600 0.81 SCNN1A (0.47) SCNN1ACTSAALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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
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 SCNN1A 7/4885CTSA 3969/4885ALDH1A1 1106/4885

“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.