SCHEMBL3713581

SCHEMBL3713581

CC(C)(C)c1c(NC(=O)CC2CC[C@H]3C[C@@H]23)nn2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.45
KCNQ2 O43526 13/20 0.45
HSD11B1 P28845 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL3713577 1.00 KCNQ3 (0.45) KCNQ3KCNQ2HSD11B1HPGDALDH1A1
SCHEMBL3705767 0.87 ALDH1A1 (0.45) KCNQ3KCNQ2HSD11B1HPGDALDH1A1
SCHEMBL3706506 0.83 KCNQ3 (0.43) KCNQ3KCNQ2HPGDALDH1A1MEN1
SCHEMBL3706505 0.83 KCNQ3 (0.43) KCNQ3KCNQ2HPGDALDH1A1MEN1
SCHEMBL3713625 0.82 KCNQ3 (0.64) KCNQ3KCNQ2HPGDSMN1; SMN2RAB9A
SCHEMBL3704493 0.82 KCNQ3 (0.43) KCNQ3KCNQ2HPGDALDH1A1MEN1
SCHEMBL3704492 0.82 KCNQ3 (0.43) KCNQ3KCNQ2HPGDALDH1A1MEN1
SCHEMBL3701258 0.81 KCNQ3 (0.66) KCNQ3KCNQ2HPGDMEN1KMT2A
SCHEMBL3703349 0.78 KCNQ3 (0.65) KCNQ3KCNQ2HPGDALDH1A1SMN1; SMN2
SCHEMBL3704952 0.77 KCNQ3 (0.48) KCNQ3KCNQ2JAK2JAK3

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 2/4885HSD11B1 3440/4885

“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.