SCHEMBL885105

SCHEMBL885105

O=C(NC1CC1)c1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.59
KCNH2 Q12809 5/20 0.59
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HTR7 P34969 1/20 0.43
SMO Q99835 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL885043 0.91 KCNA5 (0.53) KCNA5KCNH2ROCK2ROCK1ALDH1A1
SCHEMBL884527 0.89 KCNA5 (0.66) KCNA5KCNH2ROCK2ROCK1ALDH1A1
SCHEMBL884671 0.84 KCNA5 (0.66) KCNA5KCNH2ROCK2
SCHEMBL884766 0.82 KCNA5 (0.59) KCNA5KCNH2ROCK2ROCK1ALDH1A1
SCHEMBL885066 0.81 KCNA5 (0.85) KCNA5KCNH2
SCHEMBL2062791 0.80 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL884683 0.80 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL884851 0.79 KCNA5 (0.59) KCNA5KCNH2ALDH1A1L3MBTL1
SCHEMBL884636 0.78 KCNA5 (0.61) KCNA5KCNH2ROCK2ROCK1ALDH1A1
SCHEMBL884777 0.77 KCNA5 (0.73) KCNA5KCNH2ROCK2RAB9A

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 3/4885ROCK2 1928/4885

“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.