SCHEMBL828478

SCHEMBL828478

NC(OC(=O)C(F)(F)F)C(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
ROCK2 O75116 1/20 0.36
PARP1 P09874 1/20 0.36
MET P08581 2/20 0.35
KDR P35968 2/20 0.35
BRD4 O60885 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
F9 P00740 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
NAMPT P43490 1/20 0.33
KIT P10721 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
Trifluoroacetic Acid SCHEMBL828477 0.78 PDE10A (0.47) PDE10AROCK2PARP1METKDR
SCHEMBL2712131 0.78 PDE10A (0.48) PDE10APARP1METKDRBRD4
SCHEMBL828083 0.78 RECQL (0.38) PDE10APARP1METKDRMAPT
SCHEMBL824730 0.76 PDE10A (0.53) PDE10AROCK2PARP1METKDR
SCHEMBL824726 0.76 ADORA1 (0.51) PDE10AMAPTMEN1KMT2ACASP3
SCHEMBL824677 0.75 PDE10A (0.52) PDE10AROCK2PARP1METKDR
Trifluoroacetic Acid SCHEMBL828226 0.75 PARP1 (0.38) PDE10APARP1METKDRITGB3
SCHEMBL824676 0.73 ALDH1A1 (0.52) PDE10AROCK2PARP1MAPTMEN1
SCHEMBL824612 0.72 KCNQ2 (0.54) PDE10AROCK2PARP1BRD4MAPT
SCHEMBL824674 0.72 CYP2C19 (0.55) PDE10APARP1MAPTKDM4EALDH1A1

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
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-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 PDE10A 3212/4885ROCK2 2550/4885PARP1 4305/4885

“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.