SCHEMBL824692

SCHEMBL824692

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KIT P10721 1/20 0.42
PTPRC P08575 1/20 0.41
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
FFAR1 O14842 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR1I3 Q14994 3/20 0.36
BRD4 O60885 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL824714 0.89 FFAR1 (0.39) KDM4EKITPTPRCFFAR1PIK3C3
SCHEMBL824799 0.88 SMN1; SMN2 (0.42) KITPTPRCALOX15FFAR1PIK3C3
SCHEMBL824611 0.86 KIT (0.42) KDM4EKITHPGDALOX15FFAR1
SCHEMBL824672 0.85 HPGD (0.41) KDM4EKITPTPRCHPGDFFAR1
SCHEMBL2709079 0.84 FFAR1 (0.45) KITPTPRCFFAR1PIK3C3PDE10A
SCHEMBL824708 0.84 FFAR1 (0.39) KDM4EKITPTPRCFFAR1PIK3C3
SCHEMBL824719 0.84 FFAR1 (0.41) KDM4EKITPTPRCFFAR1PIK3C3
SCHEMBL824756 0.84 BRD4 (0.51) KITPTPRCFFAR1BRD4LMNA
SCHEMBL824754 0.84 KIT (0.42) KITPTPRCFFAR1PIK3C3PDE10A
SCHEMBL824812 0.83 FFAR1 (0.40) KITPTPRCFFAR1PIK3C3PDE10A

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 KCNJ11 2975/4885KDM4E 2949/4885KIT 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.