SCHEMBL884979

SCHEMBL884979

CS(=O)(=O)c1cccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.48
KCNH2 Q12809 4/20 0.48
ROCK1 Q13464 1/20 0.42
CD38 P28907 1/20 0.40
JAK3 P52333 2/20 0.40
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.40
PTK2 Q05397 1/20 0.40
TNNI3K Q59H18 1/20 0.39
PDE4B Q07343 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL5140511 0.87 KCNA5 (0.39) KCNA5KCNH2CD38JAK3JAK1
SCHEMBL884615 0.84 KCNA5 (0.41) KCNA5KCNH2JAK1JAK2TYK2
SCHEMBL884975 0.82 KCNA5 (0.52) KCNA5KCNH2
SCHEMBL884875 0.82 KCNA5 (0.56) KCNA5KCNH2
SCHEMBL885048 0.81 KCNA5 (0.56) KCNA5KCNH2
SCHEMBL884697 0.80 KCNA5 (0.47) KCNA5KCNH2PTK2
SCHEMBL884789 0.79 KCNA5 (0.45) KCNA5KCNH2JAK1TYK2
SCHEMBL884733 0.79 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL884464 0.78 KCNA5 (0.56) KCNA5KCNH2
SCHEMBL2062650 0.78 KCNA5 (0.48) 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 3/4885ROCK1 2358/4885

“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.