SCHEMBL1367002

SCHEMBL1367002

CC(c1ccccc1-c1ccncc1)N(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.45
KCNH2 Q12809 3/20 0.45
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
GAA P10253 1/20 0.36
DYRK1A Q13627 2/20 0.35
ADRA2C P18825 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
PTGS2 P35354 1/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL1369553 0.90 KCNA5 (0.43) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL14450904 0.89 RAB9A (0.38) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL14450916 0.88 GPR55 (0.41) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL14450917 0.88 CYP19A1 (0.43) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL14450914 0.88 PRKCZ (0.35) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL14451456 0.87 CYP3A4 (0.41)
SCHEMBL14451460 0.83 PTGS2 (0.59) PTGS2
SCHEMBL14450903 0.83 RPS6KA3 (0.41) KCNA5GAAADRA2CADRA2AADRA2B
SCHEMBL14451317 0.82 MKNK1 (0.49) PTGS2
SCHEMBL1368335 0.82 DYRK1A (0.41) DYRK1AADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US claimed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 20/4885KCNH2 2/4885CFTR 717/4885

“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.