SCHEMBL885885

SCHEMBL885885

c1cncc(C(Cc2cccnc2-n2c(-c3ncc[nH]3)nc3ccccc32)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 1/20 0.44
KCNA5 P22460 13/20 0.43
KCNH2 Q12809 5/20 0.41
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GSR P00390 1/20 0.32
CYP11B2 P19099 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
SCHEMBL885612 0.86 KCNA5 (0.51) KCNA5KCNH2CYP11B2
SCHEMBL885958 0.85 KCNA5 (0.52) KCNA5KCNH2CYP11B2
SCHEMBL885038 0.84 KCNA5 (0.53) KCNA5KCNH2CYP11B2
SCHEMBL885741 0.83 KCNA5 (0.46) KCNA5KCNH2NPSR1GSR
SCHEMBL886404 0.82 KCNA5 (0.44) KCNA5KCNH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL886251 0.82 KCNA5 (0.48) KCNA5KCNH2KDM4ESMN1; SMN2
SCHEMBL885845 0.81 KCNA5 (0.44) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL885582 0.81 KCNA5 (0.46) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL885656 0.79 KCNA5 (0.45) KCNA5KCNH2CYP11B2
SCHEMBL886155 0.79 KCNA5 (0.44) KCNA5KCNH2NPSR1

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 7 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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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 KCNK13 49/4885KCNA5 11/4885KCNH2 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.