SCHEMBL3706572

SCHEMBL3706572

Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)C[S+]([O-])C3CCCC3)nn2c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.74
KCNQ2 O43526 13/20 0.74
GRIN2B Q13224 5/20 0.37
GRIN1 Q05586 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL3707082 0.84 KCNQ3 (1.00) KCNQ3KCNQ2
SCHEMBL3697384 0.83 KCNQ3 (0.77) KCNQ3KCNQ2GRIN2BGRIN1CYP11B1
SCHEMBL3700639 0.83 KCNQ3 (0.98) KCNQ3KCNQ2
SCHEMBL3702411 0.82 KCNQ3 (0.78) KCNQ3KCNQ2GRIN2BGRIN1CYP11B1
SCHEMBL3707506 0.79 KCNQ3 (0.84) KCNQ3KCNQ2GRIN2BGRIN1PTGS2
SCHEMBL3696907 0.78 KCNQ3 (0.69) KCNQ3KCNQ2
SCHEMBL3695823 0.78 KCNQ3 (0.73) KCNQ3KCNQ2GRIN2BGRIN1
SCHEMBL3709247 0.77 KCNQ3 (0.87) KCNQ3KCNQ2
SCHEMBL3712494 0.76 KCNQ3 (0.81) KCNQ3KCNQ2GRIN2BGRIN1PTGS2
SCHEMBL3707988 0.74 KCNQ3 (0.78) KCNQ3KCNQ2CYP11B1CYP11B2

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 2/4885GRIN2B 178/4885

“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.