SCHEMBL2063076

SCHEMBL2063076

COc1ccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 16/20 0.57
KCNH2 Q12809 6/20 0.47
CRHR1 P34998 1/20 0.36
PDE4D Q08499 1/20 0.36
SCN9A Q15858 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
SCHEMBL884698 0.86 KCNA5 (0.57) KCNA5KCNH2
SCHEMBL884897 0.81 KCNA5 (0.67) KCNA5KCNH2PDE4D
SCHEMBL884744 0.80 KCNA5 (0.47) KCNA5KCNH2PDE4D
SCHEMBL884335 0.80 KCNA5 (0.53) KCNA5KCNH2PDE4D
SCHEMBL884815 0.79 KCNA5 (0.68) KCNA5KCNH2PDE4D
SCHEMBL884659 0.74 KCNA5 (0.68) KCNA5KCNH2
SCHEMBL884238 0.73 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL884701 0.73 KCNA5 (0.72) KCNA5KCNH2PDE4D
SCHEMBL884763 0.73 KCNA5 (0.69) KCNA5KCNH2PDE4D
SCHEMBL884690 0.73 KCNA5 (0.59) KCNA5KCNH2

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
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885CRHR1 4830/4885

“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.