SCHEMBL828191

SCHEMBL828191

COCCN(C(=O)O)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PDE10A Q9Y233 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
GLA P06280 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KIT P10721 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDR P35968 1/20 0.34
ITK Q08881 1/20 0.34
TNKS O95271 1/20 0.34

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
SCHEMBL828012 0.95 FFAR1 (0.38) FFAR1PDE10AGPBAR1PIK3C3GLA
SCHEMBL827978 0.90 FFAR1 (0.42) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL827287 0.89 FFAR1 (0.43) FFAR1PDE10AGPBAR1PIK3C3GLA
SCHEMBL828592 0.88 FFAR1 (0.41) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL826935 0.88 FFAR1 (0.44) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL828396 0.87 FFAR1 (0.41) FFAR1PDE10APIK3C3KIT
SCHEMBL828126 0.86 FFAR1 (0.39) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL826952 0.85 FFAR1 (0.46) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL828049 0.85 FFAR1 (0.42) FFAR1PDE10APIK3C3GLAKDM4E
SCHEMBL828026 0.83 FFAR1 (0.43) FFAR1PDE10APIK3C3GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 FFAR1 452/4885PDE10A 3212/4885GPBAR1 273/4885

“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.