SCHEMBL885582

SCHEMBL885582

Nc1nc2ccccc2n1-c1ncccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.46
KCNH2 Q12809 5/20 0.46
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
NOS2 P35228 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL885741 0.87 KCNA5 (0.46) KCNA5KCNH2TSHRMAPK1HTT
SCHEMBL885612 0.86 KCNA5 (0.51) KCNA5KCNH2TSHRMAPK1
SCHEMBL885845 0.85 KCNA5 (0.44) KCNA5KCNH2TSHRMAPK1
SCHEMBL886155 0.85 KCNA5 (0.44) KCNA5KCNH2TSHR
SCHEMBL885958 0.85 KCNA5 (0.52) KCNA5KCNH2TSHRMAPK1
SCHEMBL885038 0.84 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL886144 0.84 KCNA5 (0.47) KCNA5KCNH2TSHRMAPK1CYP1A2
SCHEMBL885624 0.82 KCNA5 (0.43) KCNA5KCNH2TSHRMAPK1
SCHEMBL886251 0.81 KCNA5 (0.48) KCNA5KCNH2CYP1A2
SCHEMBL886404 0.81 KCNA5 (0.44) 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 11/4885KCNH2 3/4885TNF 4793/4885

“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.