SCHEMBL824966

SCHEMBL824966

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)OC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
FFAR1 O14842 2/20 0.39
PTPRC P08575 2/20 0.38
PTPN1 P18031 1/20 0.38
PDE10A Q9Y233 1/20 0.36
MGLL Q99685 1/20 0.34
KIT P10721 1/20 0.34
BRD4 O60885 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL824815 0.90 ROCK2 (0.41) ROCK2FFAR1PTPRCPTPN1PDE10A
SCHEMBL824714 0.87 FFAR1 (0.39) ROCK2FFAR1PTPRCPDE10AKIT
SCHEMBL824707 0.87 ROCK2 (0.53) ROCK2FFAR1PTPN1MGLLITGB3
SCHEMBL824810 0.86 ROCK2 (0.45) ROCK2FFAR1PTPRCPTPN1PDE10A
SCHEMBL824692 0.83 KCNJ11 (0.42) FFAR1PTPRCPDE10AKITBRD4
SCHEMBL3540966 0.83 FFAR1 (0.38) FFAR1PTPRCPTPN1PDE10AKIT
SCHEMBL3540962 0.83 FFAR1 (0.38) FFAR1PTPRCPTPN1PDE10AKIT
SCHEMBL824799 0.81 SMN1; SMN2 (0.42) ROCK2FFAR1PTPRCPDE10AKIT
SCHEMBL828206 0.80 PDE10A (0.36) FFAR1PTPRCPTPN1PDE10AKIT
SCHEMBL824958 0.80 PDE10A (0.36) FFAR1PTPRCPTPN1PDE10AKIT

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 ROCK2 2550/4885FFAR1 452/4885PTPRC 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.