Sugi Predict

Sugi Predict / Compounds / SCHEMBL3826068

SCHEMBL3826068

SCHEMBL3826068

Brc1cccc(C(c2cccnc2)C(c2cccnc2)c2cnccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 10/20 0.40
▸ KCND3 Q9UK17 2/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ CFTR P13569 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ GOPC Q9HD26 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KCNN4 O15554 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL3899448 0.90 KCNA5 (0.47) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3813871 0.87 KCNA5 (0.45) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL1379567 0.83 KCNA5 (0.52) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3886582 0.82 CFTR (0.46) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3809301 0.81 KCNA5 (0.61) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3899472 0.79 KCNA5 (0.42) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3889985 0.79 KCNA5 (0.48) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3894888 0.77 CHRNB2 (0.41) KCNA5CYP19A1
SCHEMBL3812277 0.77 KCNA5 (0.41) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3814296 0.77 CHRNB2 (0.44) KCNA5KCND3KCNE1KCNQ1CYP19A1

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 8 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
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 — — EP 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-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 — — US disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 — — EP 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
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 — — 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNA5 14/4885KCND3 41/4885KCNE1 9/4885

“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.