SCHEMBL824812

SCHEMBL824812

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)OCCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
ROCK2 O75116 1/20 0.38
KIT P10721 1/20 0.38
PDE10A Q9Y233 1/20 0.37
PTPRC P08575 1/20 0.36
PTGES O14684 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
AGPAT2 O15120 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABL1 P00519 1/20 0.34
P2RY1 P47900 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK3 Q00526 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
SCHEMBL824672 0.91 HPGD (0.41) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824719 0.91 FFAR1 (0.41) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824611 0.89 KIT (0.42) FFAR1ROCK2KITTDP1
SCHEMBL824743 0.89 RAB9A (0.40) FFAR1KITL3MBTL1
SCHEMBL824718 0.88 FFAR1 (0.39) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824707 0.88 ROCK2 (0.53) FFAR1ROCK2
SCHEMBL824810 0.87 ROCK2 (0.45) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824967 0.87 FFAR1 (0.38) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824799 0.87 SMN1; SMN2 (0.42) FFAR1ROCK2KITPDE10APTPRC
SCHEMBL824708 0.87 FFAR1 (0.39) FFAR1ROCK2KITPDE10APTPRC

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
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

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 452/4885ROCK2 2550/4885KIT 4832/4885

“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.