SCHEMBL1322175

SCHEMBL1322175

CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
GPR139 Q6DWJ6 1/20 0.40
ATM Q13315 1/20 0.40
TRPA1 O75762 2/20 0.40
NAMPT P43490 1/20 0.39
FYN P06241 1/20 0.39
PIM1 P11309 6/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MCHR1 Q99705 1/20 0.37
DHODH Q02127 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
SCHEMBL1319930 0.93 NAMPT (0.40) GPR139ATMTRPA1NAMPTFYN
SCHEMBL1320624 0.92 GPR139 (0.40) GPR139ATMTRPA1NAMPTFYN
SCHEMBL1318535 0.89 KCNQ3 (0.50) KCNQ3KCNQ2GPR139MCHR1
SCHEMBL1319598 0.88 NAMPT (0.40) GPR139ATMTRPA1NAMPTFYN
SCHEMBL1319161 0.88 GPR139 (0.38) GPR139ATMTRPA1NAMPTFYN
SCHEMBL1319746 0.87 P2RY14 (0.44) GPR139ATMTRPA1NAMPT
SCHEMBL1322549 0.87 KCNQ3 (0.47) KCNQ3KCNQ2GPR139ATMTRPA1
SCHEMBL1319608 0.87 GPR139 (0.42) GPR139ATMTRPA1NAMPTFYN
SCHEMBL1321100 0.86 CSNK1D (0.41) KCNQ3KCNQ2GPR139TRPA1
SCHEMBL1321405 0.86 KCNQ3 (0.44) KCNQ3KCNQ2GPR139TRPA1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 WO 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 (3 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 KCNQ3 29/4885KCNQ2 7/4885GPR139 965/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885GPR139 1384/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885GPR139 1384/4885

“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.