SCHEMBL3698743

SCHEMBL3698743

CC(C)(C)CC(=O)Nc1nn2cccnc2c1C#Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.71
KCNQ2 O43526 7/20 0.71
PDE2A O00408 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
ACACB O00763 1/20 0.38
P2RY1 P47900 4/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.36
P2RY14 Q15391 1/20 0.36
BRD4 O60885 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
SCHEMBL3703662 0.83 KCNQ3 (1.00) KCNQ3KCNQ2PDE2ATDP1GPR139
SCHEMBL3703176 0.77 KCNQ3 (0.81) KCNQ3KCNQ2PDE2ABRD4
SCHEMBL3703349 0.72 KCNQ3 (0.65) KCNQ3KCNQ2HPGD
SCHEMBL3701756 0.70 KCNQ3 (1.00) KCNQ3KCNQ2
SCHEMBL3702907 0.69 KCNQ3 (0.61) KCNQ3KCNQ2HPGD
SCHEMBL3705793 0.69 KCNQ3 (0.60) KCNQ3KCNQ2HPGD
SCHEMBL3705797 0.69 KCNQ3 (0.60) KCNQ3KCNQ2HPGD
SCHEMBL3706796 0.69 KCNQ3 (0.72) KCNQ3KCNQ2
SCHEMBL3706798 0.69 KCNQ3 (0.72) KCNQ3KCNQ2
SCHEMBL3704451 0.68 KCNQ3 (0.74) KCNQ3KCNQ2PDE2ATDP1

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 2/4885PDE2A 872/4885

“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.