SCHEMBL885804

SCHEMBL885804

N#Cc1cc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)ccc1F

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 0.74
KCNH2 Q12809 9/20 0.74
PTGDR2 Q9Y5Y4 1/20 0.37
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL884372 0.87 KCNA5 (0.80) KCNA5KCNH2KDM4EALDH1A1GAA
SCHEMBL2063360 0.85 KCNA5 (0.71) KCNA5KCNH2DPP4
SCHEMBL885221 0.85 KCNA5 (1.00) KCNA5KCNH2ALDH1A1
SCHEMBL884187 0.84 KCNA5 (0.67) KCNA5KCNH2ALDH1A1HPGD
SCHEMBL2062772 0.83 KCNA5 (0.65) KCNA5KCNH2DPP4
SCHEMBL2062791 0.82 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL5032792 0.82 KCNA5 (0.64) KCNA5KCNH2
SCHEMBL884587 0.81 KCNA5 (0.64) KCNA5KCNH2PTGDR2
SCHEMBL2062737 0.81 KCNA5 (0.69) KCNA5KCNH2DPP4
SCHEMBL2062611 0.81 KCNA5 (0.72) KCNA5KCNH2DPP4

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 11/4885KCNH2 3/4885PTGDR2 3569/4885

“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.