SCHEMBL824666

SCHEMBL824666

CN(CCO)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
FFAR1 O14842 1/20 0.40
AR P10275 5/20 0.39
PIK3C3 Q8NEB9 1/20 0.37
JAK3 P52333 3/20 0.37
TNKS O95271 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
C1R P00736 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.34
PRKDC P78527 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
SCHEMBL824920 0.90 AR (0.46) PDE10AFFAR1ARPIK3C3KDM4E
SCHEMBL827287 0.86 FFAR1 (0.43) PDE10AFFAR1ARPIK3C3TNKS
SCHEMBL824728 0.85 FFAR1 (0.43) FFAR1TNKSKDM4EALDH1A1GLA
SCHEMBL824762 0.84 PDE10A (0.40) PDE10AFFAR1ARPIK3C3JAK3
SCHEMBL824749 0.82 FFAR1 (0.39) PDE10AFFAR1ARPIK3C3TNKS
SCHEMBL824585 0.82 PIK3C3 (0.42) PIK3C3ALDH1A1PRKDC
SCHEMBL824736 0.82 PDE10A (0.39) PDE10AFFAR1ARPIK3C3JAK3
SCHEMBL824671 0.81 TNKS (0.48) TNKSKDM4EMEN1KMT2APRKDC
SCHEMBL827978 0.81 FFAR1 (0.42) PDE10AFFAR1ARPIK3C3TNKS
SCHEMBL826935 0.80 FFAR1 (0.44) PDE10AFFAR1ARPIK3C3TNKS

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 8 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-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US 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
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 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 PDE10A 3212/4885FFAR1 452/4885AR 254/4885

“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.