SCHEMBL884651

SCHEMBL884651

O=C(c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.64
KCNH2 Q12809 3/20 0.56
HPGD P15428 2/20 0.47
DGAT2 Q96PD7 1/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G2 P78368 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL2063329 0.91 KCNA5 (0.67) KCNA5KCNH2HPGDMEN1KMT2A
SCHEMBL2063710 0.91 KCNA5 (0.67) KCNA5KCNH2HPGDMEN1KMT2A
SCHEMBL2063815 0.90 KCNA5 (0.66) KCNA5KCNH2HPGDMEN1KMT2A
SCHEMBL885578 0.89 KCNA5 (0.59) KCNA5KCNH2HPGDIDO1TDO2
SCHEMBL884521 0.89 KCNA5 (0.67) KCNA5KCNH2IDO1TDO2
SCHEMBL2062539 0.85 KCNA5 (0.56) KCNA5KCNH2HPGDDGAT2MEN1
SCHEMBL884855 0.85 KCNA5 (0.60) KCNA5KCNH2KMT2AATR
SCHEMBL2063080 0.84 KCNA5 (0.60) KCNA5KCNH2MEN1KMT2ARAB9A
SCHEMBL884739 0.83 KCNA5 (0.78) KCNA5KCNH2
SCHEMBL884756 0.81 KCNA5 (0.56) KCNA5KCNH2RAB9A

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 3/4885HPGD 3730/4885

“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.