SCHEMBL824746

SCHEMBL824746

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KIT P10721 1/20 0.37
FFAR1 O14842 1/20 0.37
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PTPRC P08575 1/20 0.34
PTGES O14684 6/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
AGPAT2 O15120 1/20 0.33

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 0.88 FFAR1 (0.41) KITFFAR1ROCK2ALDH1A1LMNA
SCHEMBL824611 0.87 KIT (0.42) KITFFAR1ROCK2ALDH1A1LMNA
SCHEMBL824718 0.86 FFAR1 (0.39) KITFFAR1ROCK2LMNAPIK3C3
SCHEMBL824672 0.85 HPGD (0.41) KITFFAR1ROCK2ALDH1A1LMNA
SCHEMBL824799 0.85 SMN1; SMN2 (0.42) KITFFAR1ROCK2ALDH1A1LMNA
SCHEMBL824812 0.84 FFAR1 (0.40) KITFFAR1ROCK2PIK3C3PDE10A
SCHEMBL824710 0.84 FFAR1 (0.40) KITFFAR1ROCK2ALDH1A1LMNA
SCHEMBL824707 0.84 ROCK2 (0.53) FFAR1ROCK2ALDH1A1MAPT
SCHEMBL824743 0.83 RAB9A (0.40) KITFFAR1ALDH1A1LMNAMAPK1
SCHEMBL824708 0.83 FFAR1 (0.39) KITFFAR1ROCK2MAPK1PIK3C3

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 RAF1 4180/4885BRAF 4577/4885KIT 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.