SCHEMBL884652

SCHEMBL884652

COc1ncccc1Nc1ncccc1CC(c1ccc(C#N)cc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.43
CYP19A1 P11511 2/20 0.42
KCNH2 Q12809 6/20 0.39
VDR P11473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 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
SCHEMBL884706 0.90 KCNA5 (0.51) KCNA5KCNH2VDRKDM4EALDH1A1
SCHEMBL2064504 0.83 CYP19A1 (0.48) KCNA5CYP19A1KCNH2ALDH1A1HPGD
SCHEMBL884842 0.82 CYP19A1 (0.48) KCNA5CYP19A1KCNH2ALDH1A1HPGD
SCHEMBL884637 0.81 KCNA5 (0.42) KCNA5KCNH2VDRKDM4EALDH1A1
SCHEMBL884744 0.79 KCNA5 (0.47) KCNA5KCNH2VDR
SCHEMBL884861 0.79 KCNA5 (0.47) KCNA5KCNH2ALDH1A1HPGD
SCHEMBL884778 0.77 KCNA5 (0.44) KCNA5CYP19A1KCNH2
SCHEMBL884733 0.75 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL2063519 0.74 HPGD (0.48) KCNA5KCNH2ALDH1A1HPGD
SCHEMBL885103 0.74 KCNA5 (0.60) KCNA5CYP19A1KCNH2

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 5 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

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 11/4885CYP19A1 4632/4885KCNH2 3/4885

“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.