SCHEMBL3698754

SCHEMBL3698754

COc1cc(CC(=O)Nc2nn3cccnc3c2-c2cccc(F)c2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.53
KCNQ2 O43526 13/20 0.53
RET P07949 1/20 0.42
CYP3A4 P08684 3/20 0.40
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
ADORA2A P29274 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
RIOK2 Q9BVS4 1/20 0.39

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
SCHEMBL6126605 0.97 KCNQ3 (0.50) KCNQ3KCNQ2RETCYP3A4ROCK1
SCHEMBL3707686 0.87 KCNQ3 (0.61) KCNQ3KCNQ2JAK2JAK3
SCHEMBL6126607 0.86 KCNQ3 (0.43) KCNQ3KCNQ2JAK2JAK1TYK2
SCHEMBL3698144 0.85 KCNQ3 (0.53) KCNQ3KCNQ2CYP3A4ROCK2ADORA2A
SCHEMBL3703211 0.84 KCNQ3 (0.54) KCNQ3KCNQ2JAK2JAK3
SCHEMBL6126263 0.82 KCNQ3 (0.50) KCNQ3KCNQ2CYP3A4ROCK2ADORA2A
SCHEMBL3706671 0.80 KCNQ3 (0.60) KCNQ3KCNQ2ROCK2JAK2JAK3
SCHEMBL3696615 0.79 ALDH1A1 (0.46) RIOK2
SCHEMBL6126704 0.78 KCNQ3 (0.57) KCNQ3KCNQ2JAK2JAK3
SCHEMBL3695045 0.78 KCNQ3 (0.57) 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 2/4885RET 2313/4885

“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.