SCHEMBL2063380

SCHEMBL2063380

c1cncc(C(Cc2cccnc2N2CCOc3ccccc32)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.44
KCNH2 Q12809 5/20 0.44
NUDT1 P36639 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SLC22A12 Q96S37 3/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL884227 0.81 KCNA5 (0.47) KCNA5KCNH2NUDT1
SCHEMBL885030 0.80 KCNA5 (0.45) KCNA5KCNH2MKNK1MKNK2SLC6A2
SCHEMBL884568 0.80 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL2494649 0.79 NUDT1 (0.41) NUDT1MKNK1MKNK2SLC22A12SLC6A2
SCHEMBL2492073 0.79 NUDT1 (0.43) NUDT1MKNK1MKNK2SLC22A12KDM4C
SCHEMBL884597 0.79 KCNA5 (0.44) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL1367450 0.79 NUDT1 (0.41) NUDT1MKNK1MKNK2SLC22A12KDM4C
SCHEMBL885762 0.78 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL2494384 0.78 NUDT1 (0.40) NUDT1MKNK1MKNK2SLC22A12
SCHEMBL4985911 0.77 NUDT1 (0.40) NUDT1MKNK1MKNK2SLC22A12KDM4C

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
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

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 3/4885NUDT1 3381/4885

“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.