SCHEMBL4472006

SCHEMBL4472006

COc1cccc(N(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KCNA5 P22460 2/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCND3 Q9UK17 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
MAPT P10636 2/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 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
SCHEMBL4455520 0.89 CFTR (0.40) TAAR1KCNA5ADORA3ADORA2AADORA2B
SCHEMBL4452542 0.88 TAAR1 (0.39) TAAR1KCNA5L3MBTL1LMNAADORA3
SCHEMBL4462686 0.87 CYP19A1 (0.40) TAAR1KCNA5ADORA2APDE4D
SCHEMBL4462118 0.84 KCNA5 (0.39) TAAR1KCNA5SLC6A3PDE4DKDM4E
SCHEMBL4456687 0.83 POLB (0.39) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL4470641 0.81 POLB (0.37) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL4458360 0.81 POLB (0.37) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL4458292 0.79 POLB (0.42) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL13971462 0.79 KCNA5 (0.38) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL4459564 0.77 CYP19A1 (0.36) KCNA5ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 POLB 4703/4885TAAR1 560/4885KCNA5 11/4885

“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.