SCHEMBL1320899

SCHEMBL1320899

CC(C)(C#N)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MCHR1 Q99705 2/20 0.41
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GRK6 P43250 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL1318535 0.90 KCNQ3 (0.50) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321296 0.88 GPR139 (0.44) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1322618 0.87 GPR139 (0.43) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1320359 0.86 MCHR1 (0.46) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321221 0.85 GPR139 (0.43) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1322632 0.85 GPR139 (0.42) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1320339 0.84 GPR139 (0.41) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321122 0.82 NLRP3 (0.43) GPR139MCHR1EPHX2
SCHEMBL1320499 0.82 GPR139 (0.47) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1319995 0.81 GPR139 (0.41) GPR139KCNQ3KCNQ2MCHR1ALOX5

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 GPR139 965/4885KCNQ3 29/4885KCNQ2 7/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885KCNQ3 23/4885KCNQ2 7/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885KCNQ3 23/4885KCNQ2 7/4885

“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.