SCHEMBL3704451

SCHEMBL3704451

O=C(O)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.74
KCNQ2 O43526 13/20 0.74
PDE2A O00408 1/20 0.44
DHODH Q02127 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL3703662 0.86 KCNQ3 (1.00) KCNQ3KCNQ2PDE2ATRPV1NPC1
SCHEMBL3712462 0.83 KCNQ3 (0.72) KCNQ3KCNQ2
SCHEMBL3710258 0.82 KCNQ3 (0.70) KCNQ3KCNQ2PDE2ANPC1RAB9A
SCHEMBL3698128 0.82 KCNQ3 (1.00) KCNQ3KCNQ2PDE2AKDM4EALDH1A1
SCHEMBL3710588 0.80 KCNQ3 (0.69) KCNQ3KCNQ2ALDH1A1
SCHEMBL3699229 0.79 KCNQ3 (0.58) KCNQ3KCNQ2PDE2AKDM4ENPC1
SCHEMBL3703281 0.78 KCNQ3 (0.73) KCNQ3KCNQ2PDE2AALDH1A1MAPT
SCHEMBL6126180 0.76 KCNQ3 (0.64) KCNQ3KCNQ2PDE2A
SCHEMBL3707697 0.76 KCNQ3 (0.69) KCNQ3KCNQ2PDE2A
SCHEMBL3707698 0.76 KCNQ3 (0.69) KCNQ3KCNQ2PDE2A

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 2/4885PDE2A 872/4885

“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.