SCHEMBL4459076

SCHEMBL4459076

Nc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.38
KCNH2 Q12809 1/20 0.38
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
SMN1; SMN2 Q16637 2/20 0.35
CYP19A1 P11511 2/20 0.33
MPO P05164 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNN4 O15554 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PSIP1 O75475 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14435433 0.93 CFTR (0.42) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL4456901 0.88 CYP19A1 (0.49) KCNA5KCNH2CYP19A1
SCHEMBL4458360 0.87 POLB (0.37) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL4461880 0.86 KCNA5 (0.35) KCNA5KCNH2CYP19A1MEN1
SCHEMBL4464257 0.85 TAAR1 (0.35) KCNA5KCNH2LMNA
SCHEMBL4462673 0.84 CYP19A1 (0.39) KCNA5KCNH2CYP19A1ALDH1A1
SCHEMBL4469190 0.84 CYP19A1 (0.36) KCNA5KCNH2CYP19A1MEN1
SCHEMBL4472144 0.83 CYP19A1 (0.46) KCNA5CYP19A1
SCHEMBL4461625 0.83 CYP19A1 (0.40) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL4472831 0.82 TAAR1 (0.38) 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-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US 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 KCNA5 11/4885KCNH2 2/4885CFTR 520/4885

“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.