SCHEMBL828455

SCHEMBL828455

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
TNKS O95271 2/20 0.40
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
PARP1 P09874 1/20 0.39
PDE10A Q9Y233 1/20 0.39
BRD4 O60885 1/20 0.39
MET P08581 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
ADORA2A P29274 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
SCHEMBL824925 0.93 TNKS (0.41) PIK3CDTNKSPARP1PDE10AMET
SCHEMBL828033 0.87 TNKS (0.49) PIK3CDTNKSBRD4POLBRAD52
SCHEMBL824686 0.85 PARP1 (0.44) PIK3CDTNKSPRKCAPARP1PDE10A
SCHEMBL828302 0.84 BRD4 (0.51) PIK3CDTNKSPARP1BRD4KMT2A
SCHEMBL10226389 0.84 TNKS (0.43) PIK3CDTNKSPARP1PDE10ATNKS2
SCHEMBL828198 0.84 TNKS (0.37) PIK3CDTNKSPARP1PDE10AMET
SCHEMBL828155 0.82 FFAR1 (0.41) PIK3CDPDE10ABRD4ALDH1A1
SCHEMBL824935 0.82 ITK (0.49) TNKSPARP1PDE10AKCNH3KMT2A
SCHEMBL824659 0.81 TNKS (0.39) TNKSPRKCAGSK3BPARP1PDE10A
Trifluoroacetic Acid SCHEMBL828226 0.81 PARP1 (0.38) TNKSPRKCAPARP1PDE10AMET

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 4 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-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 PIK3CD 3356/4885TNKS 4871/4885PRKCA 4742/4885

“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.