SCHEMBL824758

SCHEMBL824758

O=C1CCN(c2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
NPY5R Q15761 1/20 0.39
PDE10A Q9Y233 1/20 0.38
JAK3 P52333 6/20 0.37
JAK1 P23458 4/20 0.37
JAK2 O60674 3/20 0.37
FFAR1 O14842 1/20 0.37
TYK2 P29597 2/20 0.36
C1R P00736 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
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
SCHEMBL824626 0.91 AR (0.51) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL824620 0.91 AR (0.48) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL824897 0.90 AR (0.50) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL824773 0.89 AR (0.41) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL824684 0.88 PIK3C3 (0.49) ARPIK3C3JAK3JAK1ALDH1A1
SCHEMBL824670 0.86 AR (0.39) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL824638 0.86 PIK3C3 (0.41) ARPIK3C3NPY5RPDE10AJAK3
SCHEMBL3540577 0.85 NPY5R (0.41) ARPIK3C3NPY5RPDE10AFFAR1
SCHEMBL3542628 0.84 PIK3C3 (0.40) ARPIK3C3NPY5RPDE10AFFAR1
SCHEMBL824641 0.84 PIK3C3 (0.41) ARPIK3C3NPY5RPDE10AJAK3

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 AR 254/4885PIK3C3 4269/4885NPY5R 113/4885

“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.