SCHEMBL886155

SCHEMBL886155

CC(C)c1nc2ccccc2n1-c1ncccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.44
KCNH2 Q12809 4/20 0.44
ALOX5AP P20292 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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) KCNA5KCNH2NPSR1TSHR
SCHEMBL885845 0.85 KCNA5 (0.44) KCNA5KCNH2LMNATSHRMEN1
SCHEMBL885582 0.85 KCNA5 (0.46) KCNA5KCNH2TSHR
SCHEMBL885612 0.84 KCNA5 (0.51) KCNA5KCNH2TSHRMEN1KMT2A
SCHEMBL885958 0.83 KCNA5 (0.52) KCNA5KCNH2TSHR
SCHEMBL885038 0.82 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2A
SCHEMBL886144 0.82 KCNA5 (0.47) KCNA5KCNH2PIK3CBTSHR
SCHEMBL885624 0.81 KCNA5 (0.43) KCNA5KCNH2TSHR
SCHEMBL886404 0.80 KCNA5 (0.44) KCNA5KCNH2KMT2A
SCHEMBL886251 0.80 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 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 KCNA5 11/4885KCNH2 3/4885ALOX5AP 3376/4885

“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.