SCHEMBL884774

SCHEMBL884774

COc1ncccc1C(Cc1cccnc1N(C)c1cccnc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.76
KCNH2 Q12809 5/20 0.40
PDE4D Q08499 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
VDR P11473 1/20 0.32

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
SCHEMBL884806 0.87 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884543 0.86 KCNA5 (0.80) KCNA5KCNH2
SCHEMBL884617 0.84 KCNA5 (0.95) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL885188 0.81 KCNA5 (0.71) KCNA5KCNH2PDE4DMEN1KMT2A
SCHEMBL2063123 0.81 KCNA5 (0.82) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884895 0.81 KCNA5 (0.82) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884705 0.80 KCNA5 (0.84) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884812 0.80 KCNA5 (0.84) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL885022 0.79 KCNA5 (0.79) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL885121 0.77 KCNA5 (0.76) KCNA5KCNH2SLC6A2SLC6A4

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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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

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 3/4885PDE4D 2352/4885

“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.