SCHEMBL3701748

SCHEMBL3701748

Cc1ccnc2c(-c3ccc(OC(F)(F)F)cc3)c(NC(=O)CC(C)(C)c3ccccc3)nn12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.60
KCNQ2 O43526 13/20 0.60
GPR119 Q8TDV5 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
TP53 P04637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 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
SCHEMBL3709636 0.81 KCNQ3 (0.53) KCNQ3KCNQ2SMN1; SMN2CACNA1GCACNA1H
SCHEMBL3705354 0.76 KCNQ3 (0.53) KCNQ3KCNQ2GPR139SMN1; SMN2
SCHEMBL3703662 0.75 KCNQ3 (1.00) KCNQ3KCNQ2GPR139TRPV1
SCHEMBL3701012 0.75 KCNQ3 (0.56) KCNQ3KCNQ2
SCHEMBL3706555 0.74 KCNQ3 (0.49) KCNQ3KCNQ2GPR119TP53SMN1; SMN2
SCHEMBL3707258 0.73 MAPK14 (0.48) KCNQ3KCNQ2
SCHEMBL3703448 0.72 KCNQ3 (0.65) KCNQ3KCNQ2
SCHEMBL3696097 0.72 KCNQ3 (0.65) KCNQ3KCNQ2
SCHEMBL3704451 0.70 KCNQ3 (0.74) KCNQ3KCNQ2TP53TRPV1
SCHEMBL3701916 0.70 MAPK14 (0.52) KCNQ3KCNQ2SMN1; SMN2

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 2/4885GPR119 146/4885

“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.