SCHEMBL824754

SCHEMBL824754

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
FFAR1 O14842 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
PTPRC P08575 1/20 0.39
BRD4 O60885 1/20 0.39
P2RY1 P47900 1/20 0.38
MAPT P10636 1/20 0.38
PDE10A Q9Y233 1/20 0.37
KDR P35968 4/20 0.37
AURKB Q96GD4 2/20 0.37
PLK4 O00444 1/20 0.37
ROCK2 O75116 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
ROS1 P08922 1/20 0.37
RPS6KB1 P23443 1/20 0.37
EPHA2 P29317 1/20 0.37
AXL P30530 1/20 0.37
FLT4 P35916 1/20 0.37

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 0.88 FFAR1 (0.45) KITFFAR1PIK3C3PTPRCBRD4
SCHEMBL2710082 0.87 FFAR1 (0.42) KITFFAR1PIK3C3PTPRCBRD4
SCHEMBL824963 0.87 AR (0.45) KITTRPV1FFAR1PIK3C3PDE10A
SCHEMBL824756 0.85 BRD4 (0.51) KITTRPV1FFAR1PTPRCBRD4
SCHEMBL2710083 0.85 FFAR1 (0.42) KITFFAR1PIK3C3PTPRCBRD4
SCHEMBL3543216 0.84 PARP1 (0.45) KITTRPV1FFAR1PTPRCPDE10A
SCHEMBL824729 0.84 FFAR1 (0.40) KITFFAR1PIK3C3PTPRCMAPT
SCHEMBL824692 0.84 KCNJ11 (0.42) KITFFAR1PIK3C3PTPRCBRD4
SCHEMBL824611 0.84 KIT (0.42) KITFFAR1MAPTROCK2
SCHEMBL824672 0.82 HPGD (0.41) KITFFAR1PIK3C3PTPRCBRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP 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-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
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 KIT 4832/4885TRPV1 2263/4885FFAR1 452/4885

“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.