SCHEMBL3706796

SCHEMBL3706796

CC(C)(C)CC(=O)Nc1nn2cccnc2c1/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.72
KCNQ2 O43526 14/20 0.72
TGFBR1 P36897 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
CSNK1D P48730 1/20 0.38
CYP24A1 Q07973 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3706798 1.00 KCNQ3 (0.72) KCNQ3KCNQ2TGFBR1KCNQ4KCNQ5
SCHEMBL3702403 0.88 KCNQ3 (0.57) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3702402 0.88 KCNQ3 (0.57) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3693043 0.86 KCNQ2 (0.55) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3693048 0.86 KCNQ2 (0.55) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3704479 0.83 KCNQ3 (0.73) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3704476 0.83 KCNQ3 (0.73) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3705797 0.83 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3705793 0.83 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3704943 0.82 KCNQ3 (0.59) KCNQ3KCNQ2NPC1RAB9A

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 2/4885TGFBR1 1783/4885

“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.