SCHEMBL886335

SCHEMBL886335

c1cncc(C(Cc2ccccc2-c2ccc(N3CCOCC3)cc2)c2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.67
KCNH2 Q12809 3/20 0.67
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL884663 0.88 KCNA5 (0.65) KCNA5KCNH2RPS6KA3ALDH1A1JAK2
SCHEMBL884714 0.86 KCNA5 (0.57) KCNA5KCNH2RPS6KA3RPS6KA2RPS6KA1
SCHEMBL2062367 0.85 KCNA5 (0.55) KCNA5KCNH2ALDH1A1SMN1; SMN2TP53
SCHEMBL885578 0.83 KCNA5 (0.59) KCNA5KCNH2ALDH1A1MAPTHPGD
SCHEMBL2062779 0.81 KCNA5 (1.00) KCNA5KCNH2MAPK1
SCHEMBL2063325 0.79 KCNA5 (1.00) KCNA5KCNH2MAPK1SMN1; SMN2HTT
SCHEMBL884734 0.79 KCNA5 (0.48) KCNA5KCNH2ALDH1A1SMN1; SMN2HTT
SCHEMBL885074 0.78 KCNA5 (0.81) KCNA5KCNH2RPS6KA3SMN1; SMN2
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2MAPK1SMN1; SMN2
SCHEMBL884651 0.77 KCNA5 (0.64) KCNA5KCNH2HPGDJAK2RAB9A

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.