SCHEMBL2709079

SCHEMBL2709079

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
KIT P10721 1/20 0.44
PTPRC P08575 1/20 0.41
PDE10A Q9Y233 1/20 0.41
C1R P00736 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
BRD4 O60885 2/20 0.39
ABL1 P00519 1/20 0.38
MAPK14 Q16539 1/20 0.38
ACP1 P24666 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 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
SCHEMBL824756 0.90 BRD4 (0.51) FFAR1KITPTPRCBRD4LMNA
SCHEMBL2710082 0.90 FFAR1 (0.42) FFAR1KITPTPRCPDE10AC1R
SCHEMBL2710083 0.90 FFAR1 (0.42) FFAR1KITPTPRCPDE10AC1R
SCHEMBL824754 0.88 KIT (0.42) FFAR1KITPTPRCPDE10APIK3C3
SCHEMBL3543216 0.87 PARP1 (0.45) FFAR1KITPTPRCPDE10AABL1
SCHEMBL2711573 0.87 AURKA (0.39) KITPTPRCALDH1A1GAAMEN1
SCHEMBL824611 0.87 KIT (0.42) FFAR1KITLMNAALDH1A1GAA
SCHEMBL824707 0.85 ROCK2 (0.53) FFAR1ALDH1A1POLBMAPT
SCHEMBL824963 0.85 AR (0.45) FFAR1KITPDE10AC1RPIK3C3
SCHEMBL824729 0.84 FFAR1 (0.40) FFAR1KITPTPRCPDE10APIK3C3

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 3 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
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 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.