Sugi Predict

Sugi Predict / Compounds / SCHEMBL3898283

SCHEMBL3898283

SCHEMBL3898283

N#Cc1cccc(C(c2nccc(N)n2)C(c2cccnc2)c2cccc(N)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 8/20 0.44
▸ KCNH2 Q12809 3/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA5 P30532 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34

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
SCHEMBL1380974 0.92 CYP19A1 (0.42) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
Ammonia Solution, Strong SCHEMBL27668110 0.91 KCNA5 (0.38) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL15005817 0.91 CYP19A1 (0.38) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL1378651 0.90 KCNA5 (0.47) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL3886787 0.88 KCNA5 (0.45) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL1379569 0.87 KCNA5 (0.48) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
Trifluoroacetic Acid SCHEMBL1379565 0.83 ATR (0.39) KCNA5KCNH2VNN1MGLLATR
SCHEMBL3810697 0.81 CYP19A1 (0.42) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL3887314 0.81 CYP19A1 (0.42) KCNA5KCNH2CYP19A1CHRNB2CHRNA5
SCHEMBL3818719 0.81 CYP19A1 (0.42) KCNA5KCNH2CYP19A1CHRNB2CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 — — EP claimed
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-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 — — EP 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 14/4885KCNH2 3/4885CYP19A1 4696/4885

“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.