SCHEMBL884603

SCHEMBL884603

CN(C)CCNC(=O)c1ccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.48
HPGD P15428 1/20 0.45
BRAF P15056 1/20 0.44
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44
KCNH2 Q12809 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
FYN P06241 1/20 0.43
EGFR P00533 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TET3 O43151 1/20 0.43
TET2 Q6N021 1/20 0.43
TET1 Q8NFU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.42
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 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
SCHEMBL884704 0.83 KCNA5 (0.61) KCNA5HPGDKCNH2CYP2C19
SCHEMBL885167 0.81 KCNA5 (0.51) KCNA5KCNH2L3MBTL1
SCHEMBL884480 0.79 KCNA5 (0.71) KCNA5WNT1DYRK1AKCNH2FYN
SCHEMBL884747 0.79 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL884775 0.77 KCNA5 (0.55) KCNA5KCNH2TRPV1
SCHEMBL10094487 0.76 ALDH1A1 (0.52) HPGDBRAFTRPV1FYNEGFR
SCHEMBL884571 0.76 KCNA5 (0.64) KCNA5KCNH2CYP2C9CYP2C19EPHX2
SCHEMBL884508 0.75 KCNA5 (0.64) KCNA5KCNH2KDM4E
SCHEMBL884728 0.75 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL884613 0.74 KCNA5 (0.63) KCNA5KCNH2TRPV1KDM4E

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 11/4885HPGD 3730/4885BRAF 1972/4885

“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.