SCHEMBL2062944

SCHEMBL2062944

CN(c1cccnc1)c1ncccc1CO

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.67
NOTUM Q6P988 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 1/20 0.37
GRM5 P41594 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
POLQ O75417 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1367302 0.85 KCNA5 (0.64) KCNA5NOTUMCHRNB2CHRNA4CYP2A6
SCHEMBL886825 0.81 KCNA5 (0.56) KCNA5NOTUMPOLQ
SCHEMBL884806 0.80 KCNA5 (1.00) KCNA5
SCHEMBL10094607 0.80 KCNA5 (0.57) KCNA5NOTUMCHRNB2CHRNA4MEN1
SCHEMBL884617 0.78 KCNA5 (0.95) KCNA5
SCHEMBL1376788 0.78 KCNA5 (0.47) KCNA5NOTUMGRM5POLQ
SCHEMBL5032463 0.78 KCNA5 (0.56) KCNA5NOTUMGRM5POLQ
SCHEMBL2062954 0.77 KCNA5 (0.55) KCNA5NOTUMCHRNB2CHRNA4GRM5
SCHEMBL6475270 0.76 MEN1 (0.45) KCNA5MEN1KMT2AHTTGAA
SCHEMBL27549059 0.76 KCNA5 (0.51) KCNA5NOTUMCHRNB2CHRNA4CYP2A6

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-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 11/4885NOTUM 1961/4885CHRNB2 741/4885

“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.