SCHEMBL3698696

SCHEMBL3698696

COc1cccc(CC(=O)Nc2nn3c(C)cc(C)nc3c2-c2cccc(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
KCNQ3 O43525 3/20 0.49
KCNQ2 O43526 3/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
P2RY14 Q15391 1/20 0.47
CSNK1D P48730 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK1 Q13464 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSPO P30536 1/20 0.43
HTT P42858 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
SCHEMBL3702369 0.88 KCNQ3 (0.66) RECQLKCNQ3KCNQ2KDM4EHSD17B10
SCHEMBL3707687 0.80 ROCK1 (0.49) KCNQ2LMNAALDH1A1POLBRAB9A
SCHEMBL3697382 0.78 KCNQ3 (0.75) KCNQ3KCNQ2HSD17B10HTT
SCHEMBL3705539 0.77 KCNQ3 (0.73) KCNQ3KCNQ2
SCHEMBL3695035 0.74 KCNQ3 (0.55) KCNQ3KCNQ2KDM4EALDH1A1POLB
SCHEMBL3706186 0.73 KCNQ3 (0.57) KCNQ3KCNQ2KDM4ELMNAALDH1A1
SCHEMBL3704649 0.73 KCNQ3 (0.50) KCNQ3KCNQ2KDM4ELMNAALDH1A1
SCHEMBL3701966 0.73 KCNQ3 (0.56) KCNQ3KCNQ2KDM4ELMNAALDH1A1
SCHEMBL3705325 0.71 KCNQ3 (0.54) KCNQ3KCNQ2KDM4ELMNAALDH1A1
SCHEMBL3703282 0.71 KCNQ3 (0.56) KCNQ3KCNQ2KDM4ELMNAALDH1A1

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 RECQL 250/4885KCNQ3 4/4885KCNQ2 2/4885

“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.