SCHEMBL1242238

SCHEMBL1242238

N#Cc1cccc(C(NCc2cnn(-c3ccccc3)c2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
KCNA5 P22460 4/20 0.38
KCNH2 Q12809 2/20 0.38
KCNJ1 P48048 1/20 0.38
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
MAPK1 P28482 3/20 0.36
CYP2C19 P33261 3/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
CHRNB2 P17787 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
SCHEMBL1240759 0.82 KCNA5 (0.46) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1242332 0.82 CYP19A1 (0.48) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1242943 0.77 VNN1 (0.40) KCNA5KCNH2MGLLALDH1A1CYP1A2
SCHEMBL1243158 0.77 CYP1A2 (0.41) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1243126 0.77 KCNA5 (0.40) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1243076 0.76 KCNA5 (0.46) KCNA5KCNH2MGLLALDH1A1CYP1A2
SCHEMBL1240979 0.76 VNN1 (0.44) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1243171 0.76 CYP3A4 (0.42) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL4580519 0.74 SMN1; SMN2 (0.47) KCNA5ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1243167 0.74 TSHR (0.41) GRM5KCNA5ALDH1A1CYP1A2CYP3A4

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 13 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 GRM5 1336/4885KCNA5 11/4885KCNH2 3/4885

“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.