SCHEMBL884898

SCHEMBL884898

CNC(=O)c1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.59
KCNH2 Q12809 6/20 0.59
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
RPS6KA3 P51812 1/20 0.46
ROCK2 O75116 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK1 Q13464 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41
PRKACA P17612 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
PRKCQ Q04759 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL884640 0.86 KCNA5 (0.60) KCNA5KCNH2MKNK1MKNK2
SCHEMBL885043 0.86 KCNA5 (0.53) KCNA5KCNH2ROCK2MEN1ALDH1A1
SCHEMBL884688 0.86 KCNA5 (0.69) KCNA5KCNH2MEN1ALDH1A1KMT2A
SCHEMBL2063360 0.84 KCNA5 (0.71) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL884628 0.84 KCNA5 (0.61) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL2063320 0.82 KCNA5 (0.65) KCNA5KCNH2RPS6KA3
SCHEMBL2062791 0.82 KCNA5 (0.74) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2062737 0.81 KCNA5 (0.69) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2063132 0.81 KCNA5 (0.80) KCNA5KCNH2
SCHEMBL2062772 0.80 KCNA5 (0.65) KCNA5KCNH2

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 3/4885MKNK1 295/4885

“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.