SCHEMBL4464233

SCHEMBL4464233

COc1ccc(N(c2cccc(SC)c2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP19A1 P11511 1/20 0.33
ROCK2 O75116 1/20 0.33
PDE4D Q08499 2/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
OXTR P30559 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PFKFB3 Q16875 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
SCHEMBL4457212 0.87 KCNA5 (0.42) KCNA5SLC6A2SLC6A4CYP19A1ROCK2
SCHEMBL4469168 0.87 KCNA5 (0.40) KCNA5SLC6A2SLC6A4KDM4E
SCHEMBL4461835 0.87 CYP19A1 (0.40) KCNA5SLC6A2SLC6A4CYP19A1ROCK2
SCHEMBL4460464 0.84 MEN1 (0.39) KCNA5SLC6A2SLC6A4CYP19A1
SCHEMBL4457675 0.84 KCNA5 (0.41) KCNA5SLC6A2SLC6A4CYP19A1OXTR
SCHEMBL4453037 0.83 KCNA5 (0.40) KCNA5SLC6A2SLC6A4KDM4E
SCHEMBL4454560 0.83 SLC6A2 (0.41) KCNA5SLC6A2SLC6A4KDM4E
SCHEMBL4469601 0.82 KCNA5 (0.42) KCNA5SLC6A2SLC6A4CYP19A1PDE4D
SCHEMBL4460607 0.81 KCNA5 (0.39) KCNA5SLC6A2SLC6A4
SCHEMBL4471213 0.81 KCNA5 (0.42) KCNA5CYP19A1OXTR

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 KCNA5 11/4885SLC6A2 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.