SCHEMBL1243076

SCHEMBL1243076

N#CCNC(c1cccc(C#N)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.46
KCNH2 Q12809 2/20 0.46
CYP19A1 P11511 1/20 0.45
VNN1 O95497 2/20 0.44
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA5 P30532 2/20 0.38
CHRNA4 P43681 2/20 0.38
MGLL Q99685 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
SCHEMBL1243189 0.85 CYP19A1 (0.46) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1242332 0.84 CYP19A1 (0.48) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1242304 0.82 KCNA5 (0.47) KCNA5KCNH2CYP19A1VNN1MGLL
SCHEMBL1242943 0.82 VNN1 (0.40) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1243126 0.81 KCNA5 (0.40) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1243302 0.81 KCNA5 (0.40) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1243799 0.81 KCNA5 (0.55) KCNA5KCNH2CYP19A1VNN1ALDH1A1
SCHEMBL1376729 0.81 KCNA5 (0.46) KCNA5KCNH2CYP19A1VNN1CYP2C19
SCHEMBL1240759 0.81 KCNA5 (0.46) KCNA5KCNH2CYP19A1ALDH1A1CYP1A2
SCHEMBL1242307 0.80 KCNA5 (0.48) KCNA5KCNH2CYP19A1VNN1MGLL

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-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-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
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.