SCHEMBL3701756

SCHEMBL3701756

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 1.00
KCNQ2 O43526 15/20 1.00
PTGS2 P35354 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR6 P50406 1/20 0.43
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3703662 0.87 KCNQ3 (1.00) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3703218 0.84 KCNQ3 (0.72) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL3707486 0.81 KCNQ3 (1.00) KCNQ3KCNQ2PTGS2ALDH1A1
SCHEMBL3709516 0.80 KCNQ3 (0.67) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3703176 0.80 KCNQ3 (0.81) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL3704312 0.80 KCNQ3 (0.98) KCNQ3KCNQ2ALDH1A1
SCHEMBL3703349 0.79 KCNQ3 (0.65) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL3703448 0.79 KCNQ3 (0.65) KCNQ3KCNQ2ALDH1A1
SCHEMBL3707617 0.78 KCNQ3 (0.64) KCNQ3KCNQ2ALDH1A1GAA
SCHEMBL3712462 0.78 KCNQ3 (0.72) KCNQ3KCNQ2PTGS2MAPK14

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 2/4885PTGS2 1276/4885

“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.