SCHEMBL3702369

SCHEMBL3702369

COc1cccc(CC(=O)Nc2nn3c(C)cc(C)nc3c2-c2ccc(F)c(C)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.66
KCNQ2 O43526 6/20 0.66
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
TSPO P30536 3/20 0.44
CYP3A4 P08684 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL3698696 0.88 RECQL (0.51) KCNQ3KCNQ2RECQLMEN1KMT2A
SCHEMBL3706186 0.81 KCNQ3 (0.57) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL3706845 0.80 KCNQ3 (1.00) KCNQ3KCNQ2MEN1KMT2APOLB
SCHEMBL3707687 0.77 ROCK1 (0.49) KCNQ2MEN1KMT2ALMNAPOLB
SCHEMBL3705794 0.76 KCNQ3 (0.98) KCNQ3KCNQ2
SCHEMBL3695035 0.75 KCNQ3 (0.55) KCNQ3KCNQ2MEN1KMT2APOLB
SCHEMBL3705325 0.72 KCNQ3 (0.54) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL3708663 0.72 KCNQ2 (0.52) KCNQ3KCNQ2MEN1KMT2APOLB
SCHEMBL3695805 0.72 ALDH1A1 (0.46) KCNQ3KCNQ2MEN1KMT2AALDH1A1
SCHEMBL3708798 0.72 KCNQ3 (0.56) KCNQ3KCNQ2MEN1KMT2ALMNA

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 2/4885RECQL 250/4885

“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.