SCHEMBL824675

SCHEMBL824675

O=C(COCc1ccccc1)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.54
PTPN1 P18031 1/20 0.54
ADORA2A P29274 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
PDE10A Q9Y233 1/20 0.47
PARP1 P09874 1/20 0.46
NAMPT P43490 1/20 0.45
CETP P11597 1/20 0.44
ROCK2 O75116 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CSNK1D P48730 1/20 0.41
ADORA2B P29275 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ITK Q08881 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL824674 0.86 CYP2C19 (0.55) PDE10APARP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL824936 0.85 MAPT (0.58) ADORA2AADORA1PDE10AALDH1A1RAB9A
SCHEMBL824730 0.83 PDE10A (0.53) PDE10APARP1NAMPTROCK2MAPT
SCHEMBL824676 0.82 ALDH1A1 (0.52) PDE10APARP1ROCK2ALDH1A1RAB9A
SCHEMBL824677 0.82 PDE10A (0.52) PDE10APARP1NAMPTROCK2MAPT
SCHEMBL2712131 0.80 PDE10A (0.48) ADORA2AADORA1PDE10APARP1NAMPT
SCHEMBL2712188 0.80 PDE10A (0.50) PDE10APARP1NAMPTROCK2MAPT
SCHEMBL824750 0.79 PARP1 (0.61) PDE10APARP1ALDH1A1ITK
SCHEMBL824726 0.78 ADORA1 (0.51) ADORA2AADORA1PDE10AALDH1A1RAB9A
SCHEMBL824612 0.77 KCNQ2 (0.54) PDE10APARP1ROCK2ALDH1A1RAB9A

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 8 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-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 PTPRC 2940/4885PTPN1 1813/4885ADORA2A 2003/4885

“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.