SCHEMBL3699229

SCHEMBL3699229

Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.58
KCNQ2 O43526 5/20 0.58
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SCN5A Q14524 3/20 0.43
JAK2 O60674 7/20 0.43
JAK3 P52333 7/20 0.43
PDE2A O00408 1/20 0.41
PTGS2 P35354 2/20 0.40
ADORA2A P29274 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
SCHEMBL3704451 0.79 KCNQ3 (0.74) KCNQ3KCNQ2KDM4ENPC1ALDH1A1
SCHEMBL3700940 0.79 SCN5A (0.47) KCNQ3KCNQ2KDM4EGAAMAPT
SCHEMBL3703475 0.78 JAK2 (0.55) NPC1MAPTJAK2JAK3PTGS2
SCHEMBL3703662 0.74 KCNQ3 (1.00) KCNQ3KCNQ2NPC1RAB9APDE2A
SCHEMBL3704327 0.72 JAK2 (0.50) JAK2JAK3PTGS2
SCHEMBL3712462 0.72 KCNQ3 (0.72) KCNQ3KCNQ2PTGS2
SCHEMBL17460387 0.72 JAK2 (0.45) KCNQ3KCNQ2JAK2JAK3
SCHEMBL3698128 0.71 KCNQ3 (1.00) KCNQ3KCNQ2KDM4EALDH1A1PDE2A
SCHEMBL18615008 0.70 JAK2 (0.70) KCNQ3KCNQ2KDM4ENPC1ALDH1A1
SCHEMBL624436 0.69 MKNK1 (0.50) KDM4ENPC1ALDH1A1GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885KDM4E 648/4885

“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.