SCHEMBL1242041

SCHEMBL1242041

N#Cc1ccc(C(n2nccn2)C(O)(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.53
KCNH2 Q12809 7/20 0.53
CYP19A1 P11511 3/20 0.51
CYP3A4 P08684 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.37

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
SCHEMBL1242909 0.88 KCNA5 (0.48) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242147 0.85 KCNA5 (0.66) KCNA5KCNH2CYP19A1CYP3A4
SCHEMBL1243448 0.81 CYP19A1 (0.52) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1243272 0.79 KCNA5 (0.50) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1240660 0.74 KCNA5 (0.45) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1243434 0.73 KCNA5 (0.46) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242822 0.72 KCNA5 (0.70) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242361 0.71 KCNA5 (0.57) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242786 0.70 KCNA5 (0.45) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242825 0.70 KCNA5 (0.71) KCNA5KCNH2CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
JP-4719745-B2 2011-07-06 JP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885CYP19A1 4632/4885

“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.