SCHEMBL824718

SCHEMBL824718

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KIT P10721 1/20 0.39
PDE10A Q9Y233 1/20 0.36
PTPRC P08575 1/20 0.36
ROCK2 O75116 1/20 0.36
PTGES O14684 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
KDR P35968 3/20 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
SCHEMBL824719 0.97 FFAR1 (0.41) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824672 0.89 HPGD (0.41) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824810 0.89 ROCK2 (0.45) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824812 0.88 FFAR1 (0.40) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824611 0.87 KIT (0.42) FFAR1KITROCK2LMNAMAPT
SCHEMBL824743 0.87 RAB9A (0.40) FFAR1KITLMNAMAPT
SCHEMBL824746 0.86 RAF1 (0.37) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824799 0.85 SMN1; SMN2 (0.42) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824710 0.84 FFAR1 (0.40) FFAR1KITPDE10APTPRCROCK2
SCHEMBL824707 0.84 ROCK2 (0.53) FFAR1ROCK2MAPT

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 452/4885KIT 4832/4885PDE10A 3212/4885

“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.