SCHEMBL1242265

SCHEMBL1242265

COc1cccc(C(N2CC[C@@H](O)C2)C(F)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.40
PRKG1 Q13976 8/20 0.40
KCNA5 P22460 5/20 0.38
KCNH2 Q12809 4/20 0.38
CYP1A2 P05177 1/20 0.38
LIMK2 P53671 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL1242405 0.84 KCNA5 (0.54) ROCK2PRKG1KCNA5KCNH2ALDH1A1
SCHEMBL1242195 0.83 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL1240642 0.82 KCNA5 (0.49) ROCK2PRKG1KCNA5KCNH2CYP1A2
SCHEMBL1240407 0.80 KCNA5 (0.54) ROCK2PRKG1KCNA5KCNH2
SCHEMBL1242240 0.80 KCNA5 (0.51) ROCK2PRKG1KCNA5KCNH2
SCHEMBL1242093 0.78 KCNA5 (0.52) ROCK2PRKG1KCNA5KCNH2CYP1A2
SCHEMBL1242913 0.75 KCNA5 (0.68) KCNA5KCNH2ALDH1A1LMNAKDM4E
SCHEMBL1242850 0.75 KCNA5 (0.52) KCNA5KCNH2L3MBTL1
SCHEMBL1242968 0.74 KCNA5 (0.49) ROCK2PRKG1KCNA5KCNH2LMNA
SCHEMBL1242771 0.74 KCNA5 (0.69) KCNA5KCNH2ALDH1A1LMNA

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 ROCK2 1928/4885PRKG1 1490/4885KCNA5 11/4885

“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.