SCHEMBL3886897

SCHEMBL3886897

CN(C)C(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.54
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54
KCND3 Q9UK17 1/20 0.54
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
ITGA2B P08514 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL1380823 0.86 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL3851571 0.84 KCNA5 (0.48) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL1379149 0.84 KCNE1 (0.55) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL3851579 0.82 KCNA5 (0.47) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL3885685 0.81 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1377525 0.80 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL3813504 0.80 KCNE1 (0.48) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1377227 0.80 CYP1A2 (0.49) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1378308 0.80 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1383486 0.80 TSHR (0.51) KCNA5KCNE1KCNQ1KCND3MAPT

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-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNA5 14/4885KCNE1 9/4885KCNQ1 8/4885

“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.