SCHEMBL2018438

SCHEMBL2018438

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 5/20 0.44
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
ACSS2 Q9NR19 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2017964 0.94 SCNN1A (0.44) SCNN1AS1PR1HTTACSS2TP53
SCHEMBL2016536 0.92 HTT (0.42) SCNN1AHTTMTNR1AMTNR1BACSS2
SCHEMBL12635952 0.91 HTT (0.41) SCNN1AS1PR1HTTMTNR1AMTNR1B
SCHEMBL12635701 0.90 ACSS2 (0.49) SCNN1AS1PR1HTTMTNR1AMTNR1B
SCHEMBL2018430 0.90 ACSS2 (0.42) SCNN1AHTTACSS2
SCHEMBL2017976 0.89 HTT (0.40) SCNN1AS1PR1HTTACSS2TP53
SCHEMBL2022069 0.89 ACSS2 (0.47) SCNN1AHTTACSS2
SCHEMBL2040435 0.88 HTT (0.45) HTTACSS2TP53MAPTSMN1; SMN2
SCHEMBL2020165 0.88 ACSS2 (0.46) SCNN1AHTTACSS2
SCHEMBL2016331 0.87 HTT (0.52) SCNN1AHTTACSS2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245200-B1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-10 EP disclosed
US-9981954-B2 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-29 US disclosed
US-9981954-B2 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-29 US disclosed
US-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
WO-2016113168-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 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-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS SCNN1A, TRPV1, SCNN1B SCNN1A 1/4885S1PR1 1253/4885HTT 3745/4885

“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.