SCHEMBL885048

SCHEMBL885048

CN(C)c1cccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.56
ABCG2 Q9UNQ0 1/20 0.48
KCNH2 Q12809 7/20 0.43
EGFR P00533 1/20 0.40
MAP3K5 Q99683 1/20 0.39
KDM1A O60341 1/20 0.39
ATR Q13535 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL884975 0.84 KCNA5 (0.52) KCNA5KCNH2
SCHEMBL884875 0.84 KCNA5 (0.56) KCNA5KCNH2SLC6A3
SCHEMBL884979 0.81 KCNA5 (0.48) KCNA5KCNH2
SCHEMBL884733 0.80 KCNA5 (0.53) KCNA5ABCG2KCNH2
SCHEMBL884574 0.80 KCNA5 (0.46) KCNA5ABCG2KCNH2EGFR
SCHEMBL884464 0.80 KCNA5 (0.56) KCNA5KCNH2SLC6A3
SCHEMBL884697 0.79 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL884797 0.79 KCNA5 (0.46) KCNA5ABCG2KCNH2
SCHEMBL885036 0.77 KCNA5 (0.48) KCNA5KCNH2
SCHEMBL2062733 0.77 KCNA5 (0.54) 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
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 11/4885ABCG2 565/4885KCNH2 3/4885

“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.