SCHEMBL824708

SCHEMBL824708

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KIT P10721 1/20 0.39
PTPRC P08575 1/20 0.37
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.36
AGPAT2 O15120 2/20 0.35
BRD4 O60885 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
PTGES O14684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPK14 Q16539 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
SCHEMBL824611 0.88 KIT (0.42) FFAR1KITROCK2KDM4EMAPK1
SCHEMBL824812 0.87 FFAR1 (0.40) FFAR1KITPTPRCROCK2PDE10A
SCHEMBL824707 0.86 ROCK2 (0.53) FFAR1ROCK2
SCHEMBL824672 0.86 HPGD (0.41) FFAR1KITPTPRCROCK2KDM4E
SCHEMBL824719 0.85 FFAR1 (0.41) FFAR1KITPTPRCROCK2KDM4E
SCHEMBL824799 0.85 SMN1; SMN2 (0.42) FFAR1KITPTPRCROCK2MAPK1
SCHEMBL824710 0.84 FFAR1 (0.40) FFAR1KITPTPRCROCK2KDM4E
SCHEMBL824692 0.84 KCNJ11 (0.42) FFAR1KITPTPRCKDM4EPDE10A
SCHEMBL824967 0.84 FFAR1 (0.38) FFAR1KITPTPRCROCK2MAPK1
SCHEMBL824743 0.84 RAB9A (0.40) FFAR1KITKDM4EMAPK1

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 4832/4885PTPRC 2940/4885

“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.