SCHEMBL824583

SCHEMBL824583

CN1CCN(c2ccc3cc(-c4ccccc4)[nH]c(=O)c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.58
KIF11 P52732 2/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTR3A P46098 2/20 0.50
HRH4 Q9H3N8 1/20 0.48
MELK Q14680 1/20 0.48
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LYN P07948 1/20 0.47
SRC P12931 1/20 0.47
CSNK1D P48730 1/20 0.47
MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL824628 0.88 KIF11 (0.50) TNKSKIF11KDM4EALDH1A1MAPT
SCHEMBL824899 0.87 KIF11 (0.52) TNKSKIF11KDM4EALDH1A1MAPT
SCHEMBL824640 0.85 KIF11 (0.54) KIF11KDM4EALDH1A1MAPTTDO2
SCHEMBL824917 0.83 NPY5R (0.47) TNKSKIF11PARP1ABL1
SCHEMBL824642 0.80 VCP (0.42) TNKS
SCHEMBL10226273 0.80 MGLL (0.45) TNKSKDM4EALDH1A1MAPT
SCHEMBL824644 0.79 NPY5R (0.43) TNKSABL1
SCHEMBL824650 0.77 ADORA1 (0.39) TNKSKIF11KDM4EALDH1A1MAPT
SCHEMBL824685 0.75 APAF1 (0.52) KIF11KDM4EALDH1A1MAPTTDO2
SCHEMBL824717 0.75 APAF1 (0.52) TNKSKIF11KDM4EALDH1A1MAPT

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 9 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
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 TNKS 4871/4885KIF11 3232/4885KDM4E 2949/4885

“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.