SCHEMBL884604

SCHEMBL884604

COc1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 16/20 0.60
KCNH2 Q12809 8/20 0.60
RPS6KA3 P51812 1/20 0.45
TDO2 P48775 1/20 0.43
ELOVL1 Q9BW60 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL884659 0.86 KCNA5 (0.68) KCNA5KCNH2RPS6KA3
SCHEMBL2062791 0.85 KCNA5 (0.74) KCNA5KCNH2TDO2CYP11B1CYP11B2
SCHEMBL2063360 0.85 KCNA5 (0.71) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2063464 0.85 KCNA5 (0.62) KCNA5KCNH2
SCHEMBL2063865 0.84 KCNA5 (0.61) KCNA5KCNH2
SCHEMBL884524 0.83 KCNA5 (0.63) KCNA5KCNH2TDO2
SCHEMBL884533 0.83 KCNA5 (0.63) KCNA5KCNH2
SCHEMBL884335 0.83 KCNA5 (0.53) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2063320 0.83 KCNA5 (0.65) KCNA5KCNH2RPS6KA3
SCHEMBL2064429 0.83 KCNA5 (0.69) KCNA5KCNH2RPS6KA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885RPS6KA3 2620/4885

“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.