SCHEMBL3701012

SCHEMBL3701012

Cc1ccnc2c(-c3ccc(Cl)cc3)c(NC(=O)CC(C)(C)C)nn12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.56
KCNQ2 O43526 9/20 0.56
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
ACVR1 Q04771 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
PTGER1 P34995 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL3696097 0.84 KCNQ3 (0.65) KCNQ3KCNQ2PTGS2
SCHEMBL3707943 0.79 KCNQ3 (0.43) KCNQ3KCNQ2NPC1MAPTKDM4E
SCHEMBL3707687 0.77 ROCK1 (0.49) KCNQ2POLBALDH1A1
SCHEMBL3701916 0.75 MAPK14 (0.52) KCNQ3KCNQ2NPC1ALDH1A1PTGS2
SCHEMBL3707258 0.75 MAPK14 (0.48) KCNQ3KCNQ2NPC1MAPTHPGD
SCHEMBL3701748 0.75 KCNQ3 (0.60) KCNQ3KCNQ2
SCHEMBL31395937 0.72 KCNQ3 (0.58) KCNQ3KCNQ2KDM4EHPGD
SCHEMBL3706845 0.71 KCNQ3 (1.00) KCNQ3KCNQ2POLBKDM4EPTGS2
SCHEMBL3703448 0.71 KCNQ3 (0.65) KCNQ3KCNQ2ALDH1A1
SCHEMBL3702226 0.71 KCNQ3 (0.63) KCNQ3KCNQ2NPC1ALDH1A1

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 2/4885NPC1 493/4885

“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.