SCHEMBL2062789

SCHEMBL2062789

CC(C)Cn1cc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.63
KCNH2 Q12809 6/20 0.63
PDK2 Q15119 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKCI P41743 1/20 0.39

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
SCHEMBL886422 0.87 KCNA5 (0.64) KCNA5KCNH2L3MBTL1MAPK1
SCHEMBL2063801 0.86 KCNA5 (0.57) KCNA5KCNH2PDK2MAPK1
SCHEMBL885139 0.85 KCNA5 (0.55) KCNA5KCNH2L3MBTL1JAK2MAPK1
SCHEMBL2063286 0.85 KCNA5 (0.64) KCNA5KCNH2PDK2L3MBTL1MAPK1
SCHEMBL2063186 0.83 KCNA5 (0.69) KCNA5KCNH2
SCHEMBL2062779 0.79 KCNA5 (1.00) KCNA5KCNH2MAPK1
SCHEMBL3623417 0.78 PDK2 (0.42) KCNA5KCNH2PDK2L3MBTL1JAK2
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2MAPK1
SCHEMBL2063325 0.76 KCNA5 (1.00) KCNA5KCNH2MAPK1
SCHEMBL1370072 0.75 PDK2 (0.43) KCNH2PDK2L3MBTL1JAK2MAPK1

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 3 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
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 3/4885PDK2 1535/4885

“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.