SCHEMBL4459300

SCHEMBL4459300

CCOc1ccc(N(c2cccc(N)n2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.36
KCNH2 Q12809 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 1/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
MAPT P10636 2/20 0.32
HTR6 P50406 1/20 0.32
PDPK1 O15530 1/20 0.32
NPC1 O15118 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
MPI P34949 1/20 0.32

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
SCHEMBL4469190 0.89 CYP19A1 (0.36) KCNA5KCNH2PIK3CAMTORHTR6
SCHEMBL4453034 0.87 KCNA5 (0.33) KCNA5PIK3CAMTORLMNASMN1; SMN2
SCHEMBL4461880 0.84 KCNA5 (0.35) KCNA5KCNH2PIK3CAMTORCYP19A1
SCHEMBL4461703 0.84 KCNA5 (0.43) KCNA5LMNASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL4459076 0.82 KCNA5 (0.38) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL13971458 0.80 ELOVL1 (0.42) KCNA5LMNASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL4459578 0.79 KCNA5 (0.43) KCNA5LMNASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL14435433 0.79 CFTR (0.42) KCNA5KCNH2SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4462686 0.78 CYP19A1 (0.40) KCNA5HTR6CYP19A1
SCHEMBL4458360 0.78 POLB (0.37) KCNA5KCNH2SMN1; SMN2L3MBTL1SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885KCNH2 2/4885PIK3CA 2197/4885

“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.