SCHEMBL1240925

SCHEMBL1240925

N#Cc1cccc(C(N)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 2/20 0.46
VNN1 O95497 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA5 P30532 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
MGLL Q99685 1/20 0.41
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
NEK1 Q96PY6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1378201 0.82 CYP19A1 (0.51) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL9197340 0.82 SMN1; SMN2 (0.57) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1381261 0.80 CYP19A1 (0.49) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1381350 0.80 CYP19A1 (0.49) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL18595855 0.79 CYP19A1 (0.54) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL28242040 0.79 CYP19A1 (0.54) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL4383727 0.78 CYP19A1 (0.50) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1378651 0.78 KCNA5 (0.47) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1242386 0.77 CFTR (0.41) CYP19A1KCNA5CYP11B2CYP11B1CFTR
SCHEMBL1380955 0.77 CYP19A1 (0.46) CYP19A1KCNA5KCNH2VNN1CHRNB2

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 6 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
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 CYP19A1 4632/4885KCNA5 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.