SCHEMBL4455520

SCHEMBL4455520

COc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNA5 P22460 8/20 0.38
PDE4D Q08499 1/20 0.38
KCNN4 O15554 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 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
SCHEMBL4462118 0.95 KCNA5 (0.39) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4452542 0.94 TAAR1 (0.39) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4472006 0.89 POLB (0.38) SLC6A3TAAR1KCNA5PDE4DKDM4E
SCHEMBL4462686 0.88 CYP19A1 (0.40) TAAR1KCNA5PDE4DADORA2A
SCHEMBL13957483 0.83 CFTR (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14435433 0.80 CFTR (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4462104 0.80 CFTR (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14435718 0.79 PDE4D (0.37) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL13971398 0.78 SMN1; SMN2 (0.38) CFTRSLC6A2SLC6A4SLC6A3GOPC
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 8 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
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 CFTR 520/4885SLC6A2 254/4885SLC6A4 438/4885

“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.