SCHEMBL3699241

SCHEMBL3699241

COc1cccc(CC(=O)Nc2nn3cc(C)cnc3c2-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.51
KCNQ2 O43526 6/20 0.51
PDE2A O00408 1/20 0.45
DGAT2 Q96PD7 2/20 0.43
NTRK1 P04629 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
CSNK1D P48730 2/20 0.42
TP53 P04637 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
GLS O94925 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3708663 0.90 KCNQ2 (0.52) KCNQ3KCNQ2PRKACAROCK1TP53
SCHEMBL3695753 0.79 KCNQ3 (0.67) KCNQ3KCNQ2PDE2A
SCHEMBL3704649 0.78 KCNQ3 (0.50) KCNQ3KCNQ2PDE2AALDH1A1POLB
SCHEMBL3706860 0.77 MAPK14 (0.56) KCNQ3KCNQ2ALDH1A1
SCHEMBL3706797 0.76 KCNQ3 (0.51) KCNQ3KCNQ2TP53ALDH1A1
SCHEMBL3710258 0.74 KCNQ3 (0.70) KCNQ3KCNQ2PDE2ARAB9A
SCHEMBL3698911 0.73 KCNQ3 (0.56) KCNQ3KCNQ2ALDH1A1
SCHEMBL3698068 0.72 KCNQ3 (0.49) KCNQ3KCNQ2PDE2ATP53GLS
SCHEMBL3695326 0.72 KCNQ3 (0.57) KCNQ3KCNQ2TP53ALDH1A1RAB9A
SCHEMBL3712462 0.71 KCNQ3 (0.72) 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 5 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
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.