SCHEMBL884663

SCHEMBL884663

c1cncc(C(Cc2ccccc2-c2ccc(N3CCNCC3)cc2)c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.65
KCNH2 Q12809 3/20 0.65
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
MAPKAPK2 P49137 3/20 0.46
ALDH1A1 P00352 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
RPS6KA3 P51812 1/20 0.43
KDR P35968 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
IKBKB O14920 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
SCHEMBL886335 0.88 KCNA5 (0.67) KCNA5KCNH2ALDH1A1RPS6KA3JAK2
SCHEMBL2062779 0.80 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2063325 0.78 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL885074 0.77 KCNA5 (0.81) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2063707 0.76 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884714 0.74 KCNA5 (0.57) KCNA5KCNH2ALDH1A1RPS6KA3
SCHEMBL885578 0.74 KCNA5 (0.59) KCNA5KCNH2ALDH1A1
SCHEMBL22189965 0.74 USP2 (0.48) MAPKAPK2ALDH1A1ACVR1CTSLCTSB
SCHEMBL2062367 0.73 KCNA5 (0.55) KCNA5KCNH2ALDH1A1
SCHEMBL884336 0.73 KCNA5 (0.60) KCNA5KCNH2ALDH1A1

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 3/4885SLC6A2 382/4885

“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.