SCHEMBL824925

SCHEMBL824925

O=c1[nH]c(-c2ccccc2)cc2ccc(NCCO)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.41
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PIK3CD O00329 1/20 0.38
ATM Q13315 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 1/20 0.37
CDC25B P30305 1/20 0.37
MAP4K4 O95819 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL828455 0.93 PIK3CD (0.42) TNKSPARP1PDE10AMETKDR
SCHEMBL824686 0.87 PARP1 (0.44) TNKSPARP1PDE10ATNKS2ADORA2A
SCHEMBL828302 0.86 BRD4 (0.51) TNKSPARP1ADORA2AADORA1PIK3CD
SCHEMBL10226389 0.86 TNKS (0.43) TNKSPARP1PDE10ATNKS2ADORA2A
SCHEMBL828198 0.86 TNKS (0.37) TNKSPARP1PDE10AMETKDR
SCHEMBL828033 0.84 TNKS (0.49) TNKSPIK3CDKDM4EMAPT
SCHEMBL824935 0.84 ITK (0.49) TNKSPARP1PDE10AADORA2AADORA1
SCHEMBL824659 0.83 TNKS (0.39) TNKSPARP1PDE10AMETKDR
Trifluoroacetic Acid SCHEMBL828226 0.83 PARP1 (0.38) TNKSPARP1PDE10AMETKDR
SCHEMBL824745 0.82 TNKS (0.38) TNKSPARP1PDE10AMETKDR

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 7 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-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 4871/4885PARP1 4305/4885PDE10A 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.