SCHEMBL884895

SCHEMBL884895

CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.82
KCNH2 Q12809 5/20 0.44
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2063123 0.93 KCNA5 (0.82) KCNA5KCNH2CHRM2SLC6A2SLC6A4
SCHEMBL884617 0.91 KCNA5 (0.95) KCNA5KCNH2SLC6A2SLC6A4TSHR
SCHEMBL884806 0.91 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4LMNA
SCHEMBL885734 0.89 KCNA5 (0.65) KCNA5KCNH2CHRM2SLC6A2SLC6A4
SCHEMBL884612 0.86 KCNA5 (0.74) KCNA5KCNH2LMNA
SCHEMBL884631 0.86 KCNA5 (0.74) KCNA5KCNH2LMNA
SCHEMBL2062703 0.86 KCNA5 (0.74) KCNA5KCNH2LMNA
SCHEMBL885188 0.84 KCNA5 (0.71) KCNA5KCNH2LMNA
SCHEMBL884812 0.83 KCNA5 (0.84) KCNA5KCNH2CHRM2SLC6A2SLC6A4
SCHEMBL884705 0.83 KCNA5 (0.84) KCNA5KCNH2CHRM2SLC6A2SLC6A4

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 3/4885CHRM2 3074/4885

“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.