SCHEMBL3704952

SCHEMBL3704952

CC(C)(C)c1c(NC(=O)CC2CCc3ccccc32)nn2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.48
KCNQ2 O43526 13/20 0.48
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ANO1 Q5XXA6 2/20 0.36

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
SCHEMBL3713625 0.81 KCNQ3 (0.64) KCNQ3KCNQ2ANO1
SCHEMBL3701258 0.81 KCNQ3 (0.66) KCNQ3KCNQ2
SCHEMBL3703349 0.77 KCNQ3 (0.65) KCNQ3KCNQ2
SCHEMBL3713581 0.77 KCNQ3 (0.45) KCNQ3KCNQ2JAK2JAK3
SCHEMBL3713577 0.77 KCNQ3 (0.45) KCNQ3KCNQ2JAK2JAK3
SCHEMBL3706896 0.77 KCNQ3 (0.51) KCNQ3KCNQ2
SCHEMBL3705767 0.77 ALDH1A1 (0.45) KCNQ3KCNQ2
SCHEMBL3707951 0.76 KCNQ3 (0.67) KCNQ3KCNQ2
SCHEMBL3696935 0.76 KCNQ3 (0.43) KCNQ3KCNQ2
SCHEMBL3697377 0.76 KCNQ3 (0.68) KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885PRMT5 909/4885

“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.