Sugi Predict

Sugi Predict / Compounds / SCHEMBL2076563

SCHEMBL2076563

SCHEMBL2076563

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.67
▸ SCNN1A P37088 8/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EPOR P19235 4/20 0.39
▸ PLAU P00749 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL1134619 0.96 KCNH2 (0.63) KCNH2SCNN1AKDM4EALDH1A1GLA
SCHEMBL1134515 0.89 KCNH2 (0.65) KCNH2CHRM4MAPTTDP1EPOR
SCHEMBL1134581 0.88 KCNH2 (0.72) KCNH2SCNN1AKDM4EALDH1A1GLA
SCHEMBL1134630 0.87 KCNH2 (0.62) KCNH2MAPTTDP1NPSR1
SCHEMBL11959315 0.85 KCNH2 (0.75) KCNH2SCNN1AKDM4EALDH1A1GLA
SCHEMBL16541810 0.85 KCNH2 (0.70) KCNH2SCNN1AKDM4EALDH1A1GLA
SCHEMBL12379736 0.85 KCNH2 (0.75) KCNH2SCNN1AKDM4EALDH1A1GLA
Trifluoroacetic Acid SCHEMBL1134632 0.85 KCNH2 (0.67) KCNH2SCNN1ACHRM4EPOR
Iodide SCHEMBL2290256 0.85 KCNH2 (0.74) KCNH2SCNN1AKDM4EALDH1A1GLA
SCHEMBL4327986 0.82 KCNH2 (0.45) KCNH2CHRM4EPORITGB3ITGA2B

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 4 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-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

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 18/4885SCNN1A 7/4885KDM4E 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.