SCHEMBL4452542

SCHEMBL4452542

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KCNA5 P22460 3/20 0.38
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GOPC Q9HD26 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
PDE4D Q08499 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP19A1 P11511 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNN4 O15554 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
SCHEMBL4462118 0.96 KCNA5 (0.39) TAAR1KCNA5CFTRSLC6A2SLC6A4
SCHEMBL4455520 0.94 CFTR (0.40) TAAR1KCNA5CFTRSLC6A2SLC6A4
SCHEMBL4462686 0.91 CYP19A1 (0.40) TAAR1KCNA5ADORA2APDE4DCYP19A1
SCHEMBL4472006 0.88 POLB (0.38) TAAR1KCNA5SLC6A3ADORA3ADORA2A
SCHEMBL4461880 0.83 KCNA5 (0.35) KCNA5ADORA2APDE4DCYP19A1
SCHEMBL4470602 0.83 KCNA5 (0.35) KCNA5ADORA2APDE4DCYP19A1
SCHEMBL4457212 0.81 KCNA5 (0.42) KCNA5CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4469190 0.81 CYP19A1 (0.36) KCNA5ADORA2ACYP19A1
SCHEMBL4459564 0.81 CYP19A1 (0.36) KCNA5ADORA2ACYP19A1
SCHEMBL4461625 0.80 CYP19A1 (0.40) KCNA5CFTRSLC6A2SLC6A4SLC6A3

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 TAAR1 560/4885KCNA5 11/4885CFTR 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.