SCHEMBL1134565

SCHEMBL1134565

CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)NC(N)=NCc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 17/20 0.54
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
THPO P40225 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50
FTO Q9C0B1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GMNN O75496 2/20 0.49
PMP22 Q01453 2/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1134629 1.00 SCNN1A (0.54) SCNN1AHSD17B10KDM4EALDH1A1GLA
SCHEMBL1134593 0.90 SCNN1A (0.70) SCNN1A
SCHEMBL12076465 0.86 SCNN1A (0.43) SCNN1AHSD17B10KDM4EALDH1A1GLA
SCHEMBL12076400 0.86 SCNN1A (0.43) SCNN1AHSD17B10KDM4EALDH1A1GLA
SCHEMBL12087448 0.83 SCNN1A (0.47) SCNN1AMAPTTP53LMNA
SCHEMBL12779715 0.83 SCNN1A (0.47) SCNN1AMAPTTP53LMNA
SCHEMBL12779716 0.83 SCNN1A (0.47) SCNN1AMAPTTP53LMNA
SCHEMBL2074093 0.81 SCNN1A (0.56) SCNN1AGAA
SCHEMBL12779712 0.81 SCNN1A (0.52) SCNN1AGAA
Hydrochloric Acid SCHEMBL1134530 0.80 SCNN1A (0.55) SCNN1AGAA

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 3 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-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

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 7/4885HSD17B10 3506/4885KDM4E 3679/4885

“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.