SCHEMBL885030

SCHEMBL885030

c1cncc(C(Cc2cccnc2N2CCNc3ccccc32)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.45
KCNH2 Q12809 6/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PTPN11 Q06124 1/20 0.36
PIM1 P11309 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 0.82 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL884568 0.80 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL2063380 0.80 KCNA5 (0.44) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884597 0.80 KCNA5 (0.44) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL885762 0.79 KCNA5 (0.43) KCNA5KCNH2PTPN11
SCHEMBL1368274 0.78 MKNK1 (0.37) KCNA5MKNK1MKNK2PTPN11PIM1
SCHEMBL5035484 0.78 KCNA5 (0.43) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2062758 0.78 KCNA5 (0.45) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2063804 0.76 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884635 0.75 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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 3/4885SLC6A2 382/4885

“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.