SCHEMBL824674

SCHEMBL824674

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
ITK Q08881 4/20 0.53
PDE10A Q9Y233 1/20 0.52
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KDM4C Q9H3R0 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CDK8 P49336 1/20 0.43
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42

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
SCHEMBL824936 0.88 MAPT (0.58) PDE10AHPGDMAPTMAPK1HTT
SCHEMBL824730 0.86 PDE10A (0.53) PDE10AMAPTL3MBTL1PARP1TNKS
SCHEMBL824675 0.86 PTPRC (0.54) ITKPDE10AMAPTKDM4EALDH1A1
SCHEMBL824676 0.85 ALDH1A1 (0.52) PDE10AMAPTMAPK1HTTKDM4E
SCHEMBL824677 0.85 PDE10A (0.52) PDE10AMAPTL3MBTL1PARP1TNKS
SCHEMBL824750 0.84 PARP1 (0.61) ITKPDE10AMAPK1ALDH1A1PARP1
SCHEMBL824726 0.83 ADORA1 (0.51) CYP2C19ITKPDE10AHPGDMAPT
SCHEMBL2712131 0.83 PDE10A (0.48) ITKPDE10AMAPTKDM4EPARP1
SCHEMBL2712188 0.83 PDE10A (0.50) PDE10AMAPTKDM4EL3MBTL1PARP1
SCHEMBL824612 0.82 KCNQ2 (0.54) CYP2C19PDE10AHPGDMAPTMAPK1

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 CYP2C19 72/4885ITK 4760/4885PDE10A 3212/4885

“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.