SCHEMBL3702409

SCHEMBL3702409

CC(C)(C)c1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)nn2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.63
KCNQ2 O43526 9/20 0.63
P2RX7 Q99572 2/20 0.44
NLRP3 Q96P20 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ROCK2 O75116 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
PPARG P37231 1/20 0.39
RET P07949 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
SCHEMBL3703890 0.90 KCNQ3 (0.61) KCNQ3KCNQ2
SCHEMBL3704290 0.89 KCNQ3 (0.61) KCNQ3KCNQ2ANO1
SCHEMBL3706896 0.88 KCNQ3 (0.51) KCNQ3KCNQ2
SCHEMBL3700728 0.87 KMT2A (0.49) KCNQ3KCNQ2P2RX7
SCHEMBL3699193 0.85 KCNQ2 (0.50) KCNQ3KCNQ2ROCK2
SCHEMBL3699188 0.85 KCNQ3 (0.47) KCNQ3KCNQ2NLRP3RET
SCHEMBL3699116 0.83 KCNQ3 (0.53) KCNQ3KCNQ2ANO1ROCK2
SCHEMBL3707456 0.82 KDM4E (0.49) KCNQ3KCNQ2P2RX7ANO1ROCK2
SCHEMBL3703349 0.80 KCNQ3 (0.65) KCNQ3KCNQ2
SCHEMBL3710242 0.79 KCNQ3 (0.55) KCNQ3KCNQ2

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 2/4885P2RX7 184/4885

“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.