SCHEMBL3885685

SCHEMBL3885685

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
KCND3 Q9UK17 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
XBP1 P17861 1/20 0.39
STAT3 P40763 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MAP3K5 Q99683 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL1383486 0.87 TSHR (0.51) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL13716162 0.86 KCNE1 (0.48) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1380823 0.84 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1379149 0.81 KCNE1 (0.55) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3886897 0.81 KCNA5 (0.54) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1377525 0.80 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3886253 0.80 KCNA5 (0.67) KCNA5KCNE1KCNQ1KCND3RAB9A
SCHEMBL3895813 0.78 KCNA5 (0.47) KCNA5KCNE1KCNQ1KCND3KMT2A
SCHEMBL1378308 0.78 KCNE1 (0.51) KCNA5KCNE1KCNQ1KCND3RAB9A
SCHEMBL3851571 0.78 KCNA5 (0.48) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2

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-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 claimed
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.