SCHEMBL1242908

SCHEMBL1242908

COC(=O)c1cccn(C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.40
KCNH2 Q12809 6/20 0.40
POLB P06746 1/20 0.40
CYP26A1 O43174 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL1243603 0.88 KCNA5 (0.46) KCNA5KCNH2POLBCYP26A1
SCHEMBL1240536 0.81 KCNA5 (0.40) KCNA5KCNH2POLBKMT2ALMNA
SCHEMBL1243006 0.79 KCNA5 (0.45) KCNA5KCNH2POLB
SCHEMBL1242868 0.78 KCNA5 (0.50) KCNA5KCNH2POLB
SCHEMBL4429636 0.78 SLC6A4 (0.47) KMT2AL3MBTL1LMNAKDM4ETSHR
SCHEMBL9903168 0.77 KCNA5 (0.46) KCNA5KCNH2POLB
SCHEMBL1240347 0.77 KCNA5 (0.48) KCNA5KCNH2POLB
SCHEMBL9903505 0.74 KCNA5 (0.47) KCNA5KCNH2POLB
SCHEMBL9903689 0.74 KCNA5 (0.45) KCNA5KCNH2POLB
SCHEMBL1242406 0.73 KCNA5 (0.47) KCNA5KCNH2POLBCYP26A1LMNA

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 3/4885POLB 4819/4885

“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.