SCHEMBL1319930

SCHEMBL1319930

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
ATM Q13315 1/20 0.39
TRPA1 O75762 2/20 0.39
FYN P06241 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
P2RY14 Q15391 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
HASPIN Q8TF76 1/20 0.37
DHFR P00374 1/20 0.37
PIM1 P11309 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL1322175 0.93 KCNQ3 (0.43) NAMPTGPR139ATMTRPA1FYN
SCHEMBL1319598 0.92 NAMPT (0.40) NAMPTGPR139ATMTRPA1FYN
SCHEMBL1319746 0.89 P2RY14 (0.44) NAMPTGPR139ATMTRPA1PTGDR2
SCHEMBL1321296 0.88 GPR139 (0.44) GPR139MCHR1
SCHEMBL1320624 0.88 GPR139 (0.40) NAMPTGPR139ATMTRPA1FYN
SCHEMBL1319890 0.87 USP30 (0.44) NAMPTPIM1
SCHEMBL1319608 0.87 GPR139 (0.42) NAMPTGPR139ATMTRPA1FYN
SCHEMBL1322273 0.87 PIM1 (0.43) NAMPTPIM1
SCHEMBL1320816 0.86 KCNQ3 (0.46) PIM1MCHR1
SCHEMBL1320684 0.86 KCNQ3 (0.44) NAMPTPIM1

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-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
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 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 (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 NAMPT 1973/4885GPR139 965/4885ATM 1574/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 NAMPT 1559/4885GPR139 1384/4885ATM 1260/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 NAMPT 1559/4885GPR139 1384/4885ATM 1260/4885

“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.