SCHEMBL3695753

SCHEMBL3695753

Cc1cnc2c(-c3cccc(OC(F)(F)F)c3)c(NC(=O)CC(C)(C)C)nn2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.67
KCNQ2 O43526 10/20 0.67
DHODH Q02127 1/20 0.44
PDE2A O00408 4/20 0.42
BRD4 O60885 2/20 0.41
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
FYN P06241 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL3707305 0.86 KCNQ3 (0.70) KCNQ3KCNQ2HDAC1HDAC6
SCHEMBL3703176 0.85 KCNQ3 (0.81) KCNQ3KCNQ2PDE2ABRD4FYN
SCHEMBL3696361 0.84 KCNQ3 (0.73) KCNQ3KCNQ2
SCHEMBL3705104 0.84 KCNQ3 (0.71) KCNQ3KCNQ2PDE2A
SCHEMBL3699241 0.79 KCNQ3 (0.51) KCNQ3KCNQ2PDE2A
SCHEMBL3703662 0.75 KCNQ3 (1.00) KCNQ3KCNQ2PDE2A
SCHEMBL3712494 0.73 KCNQ3 (0.81) KCNQ3KCNQ2
SCHEMBL1321405 0.73 KCNQ3 (0.44) KCNQ3KCNQ2DHODHFYNHDAC1
SCHEMBL3707506 0.72 KCNQ3 (0.84) KCNQ3KCNQ2
SCHEMBL3698911 0.72 KCNQ3 (0.56) KCNQ3KCNQ2

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 2/4885DHODH 3274/4885

“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.