SCHEMBL884694

SCHEMBL884694

O=C(NCc1ccncc1)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.65
KCNH2 Q12809 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
MMP13 P45452 1/20 0.50
ROCK2 O75116 5/20 0.48
AURKA O14965 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
NAMPT P43490 1/20 0.45
GRK2 P25098 2/20 0.45
PRKCA P17252 1/20 0.45
CFD P00746 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL885046 0.96 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2ROCK2HTT
SCHEMBL884585 0.93 KCNA5 (0.66) KCNA5KCNH2SMN1; SMN2HTTKMT2A
SCHEMBL884672 0.89 KCNA5 (0.61) KCNA5KCNH2SMN1; SMN2ROCK2AURKA
SCHEMBL2063939 0.87 KCNA5 (0.63) KCNA5KCNH2SMN1; SMN2ROCK2HTT
SCHEMBL884700 0.86 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2ROCK2ROCK1
SCHEMBL884297 0.86 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2KMT2AEPHX2
SCHEMBL884739 0.83 KCNA5 (0.78) KCNA5KCNH2
SCHEMBL884689 0.83 KCNA5 (0.68) KCNA5KCNH2ROCK2NAMPT
SCHEMBL884480 0.83 KCNA5 (0.71) KCNA5KCNH2EPHX2DYRK1A
SCHEMBL884716 0.82 KCNA5 (0.65) KCNA5KCNH2SMN1; SMN2EPHX2

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 3/4885SMN1; SMN2 4477/4885

“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.