SCHEMBL824729

SCHEMBL824729

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
KIT P10721 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.37
PDE10A Q9Y233 1/20 0.37
PTGES O14684 1/20 0.37
PTPRC P08575 1/20 0.37
RORC P51449 1/20 0.36
F2R P25116 1/20 0.36
MAPK14 Q16539 1/20 0.35
ABL1 P00519 1/20 0.34
PARP1 P09874 2/20 0.34
AR P10275 1/20 0.34
TNKS O95271 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP12 Q9H0J9 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 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
SCHEMBL2709079 0.84 FFAR1 (0.45) FFAR1KITPIK3C3PDE10APTPRC
SCHEMBL824611 0.84 KIT (0.42) FFAR1KITPARP1MEN1ALDH1A1
SCHEMBL824754 0.84 KIT (0.42) FFAR1KITPIK3C3PDE10APTPRC
SCHEMBL2710082 0.83 FFAR1 (0.42) FFAR1KITPIK3C3PDE10APTPRC
SCHEMBL3543216 0.83 PARP1 (0.45) FFAR1KITPDE10APTPRCRORC
SCHEMBL824672 0.83 HPGD (0.41) FFAR1KITPIK3C3PDE10APTGES
SCHEMBL824756 0.82 BRD4 (0.51) FFAR1KITPTPRCMEN1LMNA
SCHEMBL2710083 0.81 FFAR1 (0.42) FFAR1KITPIK3C3PDE10APTPRC
SCHEMBL824963 0.81 AR (0.45) FFAR1KITPIK3C3PDE10AAR
SCHEMBL824743 0.81 RAB9A (0.40) FFAR1KITALDH1A1LMNAMAPT

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 5 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-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 4832/4885PIK3C3 4269/4885

“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.