SCHEMBL4454560

SCHEMBL4454560

CSc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CFTR P13569 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KCNA5 P22460 3/20 0.39
KDM4E B2RXH2 1/20 0.38
GRM2 Q14416 3/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
ITGA2B P08514 2/20 0.36
KCNN4 O15554 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4453037 0.95 KCNA5 (0.40) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4469168 0.93 KCNA5 (0.40) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4460607 0.90 KCNA5 (0.39) SLC6A2SLC6A4KCNA5
SCHEMBL4460464 0.85 MEN1 (0.39) SLC6A2SLC6A4SMN1; SMN2KCNA5
SCHEMBL4464233 0.83 KCNA5 (0.35) SLC6A2SLC6A4KCNA5KDM4E
SCHEMBL4464202 0.82 CFTR (0.59) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4458259 0.79 CFTR (0.55) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4464162 0.79 KCNA5 (0.48) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4461894 0.78 KCNA5 (0.51) SLC6A2SLC6A4CFTRSLC6A3GOPC
SCHEMBL4457228 0.78 CYP2D6 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2KCNA5

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 SLC6A2 254/4885SLC6A4 438/4885CFTR 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.