SCHEMBL3698911

SCHEMBL3698911

Cc1cnc2c(-c3cccc(F)c3)c(NC(=O)Cc3ccc(F)cc3)nn2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.56
KCNQ2 O43526 4/20 0.56
WNT3A P56704 10/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3706860 0.87 MAPK14 (0.56) KCNQ3KCNQ2ALDH1A1HPGDMAPK14
SCHEMBL3703621 0.86 KCNQ3 (0.58) KCNQ3KCNQ2WNT3AKDM4EALDH1A1
SCHEMBL3695326 0.85 KCNQ3 (0.57) KCNQ3KCNQ2WNT3AALDH1A1HPGD
SCHEMBL3707686 0.83 KCNQ3 (0.61) KCNQ3KCNQ2WNT3AMAPK14
SCHEMBL3708663 0.83 KCNQ2 (0.52) KCNQ3KCNQ2ALDH1A1MAPK14PTGS2
SCHEMBL3701681 0.82 KCNQ3 (0.77) KCNQ3KCNQ2
SCHEMBL3696279 0.81 KCNQ3 (0.52) KCNQ3KCNQ2ALDH1A1HPGDLMNA
SCHEMBL3704649 0.81 KCNQ3 (0.50) KCNQ3KCNQ2KDM4EALDH1A1LMNA
SCHEMBL3703211 0.77 KCNQ3 (0.54) KCNQ3KCNQ2WNT3AALDH1A1GAA
SCHEMBL3698052 0.75 KCNQ3 (0.61) KCNQ3KCNQ2WNT3AMAPK14

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 2/4885WNT3A 3707/4885

“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.