SCHEMBL824935

SCHEMBL824935

COCCNc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.49
TNKS O95271 4/20 0.43
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
KCNH3 Q9ULD8 2/20 0.39
PARP1 P09874 1/20 0.39
PDE10A Q9Y233 1/20 0.38
NCF1 P14598 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL10226389 0.85 TNKS (0.43) TNKSADORA2AADORA1PARP1PDE10A
SCHEMBL824925 0.84 TNKS (0.41) TNKSADORA2AADORA1PARP1PDE10A
SCHEMBL824686 0.84 PARP1 (0.44) TNKSADORA2AADORA1PARP1PDE10A
SCHEMBL828302 0.83 BRD4 (0.51) TNKSADORA2AADORA1PARP1KDM4E
SCHEMBL828083 0.82 RECQL (0.38) ITKTNKSPARP1PDE10AALDH1A1
SCHEMBL828455 0.82 PIK3CD (0.42) TNKSADORA2AADORA1KCNH3PARP1
SCHEMBL828033 0.81 TNKS (0.49) TNKSALDH1A1KDM4EMAPTKMT2A
SCHEMBL824674 0.79 CYP2C19 (0.55) ITKTNKSPARP1PDE10AALDH1A1
SCHEMBL9083266 0.79 TNKS (0.41) TNKSADORA2AADORA1PARP1PDE10A
SCHEMBL824655 0.79 TNKS (0.48) ITKTNKSADORA2AADORA1PARP1

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 ITK 4760/4885TNKS 4871/4885ADORA2A 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.