SCHEMBL1240407

SCHEMBL1240407

COc1cccc(C(N2CCC(F)CC2)C(O)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.54
KCNH2 Q12809 9/20 0.54
CYP3A4 P08684 1/20 0.42
ROCK2 O75116 3/20 0.42
PRKG1 Q13976 3/20 0.42
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1240642 0.94 KCNA5 (0.49) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242405 0.92 KCNA5 (0.54) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242240 0.91 KCNA5 (0.51) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242093 0.89 KCNA5 (0.52) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242913 0.89 KCNA5 (0.68) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1242771 0.88 KCNA5 (0.69) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1242285 0.88 KCNA5 (0.54) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242865 0.84 KCNA5 (0.49) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1242968 0.84 KCNA5 (0.49) KCNA5KCNH2CYP3A4ROCK2PRKG1
SCHEMBL1243081 0.83 KCNA5 (0.53) KCNA5KCNH2CYP3A4ABL1BCR

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 3 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-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 3/4885CYP3A4 1526/4885

“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.