Sugi Predict

Sugi Predict / Compounds / SCHEMBL824599

SCHEMBL824599

SCHEMBL824599

O=c1[nH]c(-c2ccccc2)cc2ccc(N(CCO)CC(O)CO)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.38
▸ MAPT P10636 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ AR P10275 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ APP P05067 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ TYMS P04818 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL824665 0.89 TNKS (0.44) TNKSMAPTPARP1KDM4EAR
SCHEMBL824658 0.85 TNKS (0.45) TNKSMAPTPARP1KDM4EATM
SCHEMBL5975957 0.81 TNKS (0.43) TNKSMAPTPARP1KDM4EATM
SCHEMBL824671 0.80 TNKS (0.48) TNKSMAPTPARP1KDM4EATM
SCHEMBL824731 0.77 TNKS (0.44) TNKSMAPTPARP1KDM4EATM
SCHEMBL824655 0.74 TNKS (0.48) TNKSMAPTPARP1KDM4EAPP
SCHEMBL828198 0.74 TNKS (0.37) TNKSMAPTPARP1KDM4EATM
SCHEMBL824659 0.73 TNKS (0.39) TNKSPARP1TNKS2PDE10A
SCHEMBL824920 0.72 AR (0.46) KDM4EARPDE10AMEN1KMT2A
SCHEMBL824608 0.71 TNKS (0.53) TNKSMAPTPARP1KDM4ECASP3

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 4871/4885MAPT 3539/4885PARP1 4305/4885

“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.