SCHEMBL1322696

SCHEMBL1322696

O=C(COCc1ccccc1)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
MCHR1 Q99705 2/20 0.42
CSNK1D P48730 2/20 0.41
GPR139 Q6DWJ6 1/20 0.39
GRK6 P43250 1/20 0.38
AR P10275 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
USP7 Q93009 1/20 0.36
CYP3A4 P08684 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35

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
SCHEMBL1320480 0.89 CACNA1H (0.48) ADORA3ADORA1MCHR1CSNK1DGPR139
SCHEMBL1320932 0.88 MCHR1 (0.52) ADORA3ADORA2AADORA1MCHR1GPR139
SCHEMBL1320359 0.84 MCHR1 (0.46) ADORA3MCHR1GPR139GRK6TDP1
SCHEMBL1321122 0.83 NLRP3 (0.43) MCHR1CSNK1DGPR139CACNA1GCACNA1H
SCHEMBL1321296 0.83 GPR139 (0.44) ADORA3MCHR1CSNK1DGPR139GRK6
SCHEMBL1321706 0.83 CSNK1D (0.43) MCHR1CSNK1DGPR139CACNA1GCACNA1H
SCHEMBL1321221 0.82 GPR139 (0.43) ADORA3MCHR1GPR139GRK6MAPT
SCHEMBL1321436 0.82 MCHR1 (0.42) MCHR1CSNK1DGPR139CACNA1GCACNA1H
SCHEMBL1318535 0.82 KCNQ3 (0.50) ADORA3MCHR1GPR139GRK6THRB
SCHEMBL1319457 0.81 CSNK1D (0.53) CSNK1DGPR139CACNA1GCACNA1HCACNA1I

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 ADORA3 1985/4885ADORA2A 1470/4885ADORA1 1942/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 ADORA3 1823/4885ADORA2A 1404/4885ADORA1 1971/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 ADORA3 1823/4885ADORA2A 1404/4885ADORA1 1971/4885

“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.