SCHEMBL824702

SCHEMBL824702

CN(Cc1ccccc1)c1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.58
IP6K1 Q92551 1/20 0.52
CSF1R P07333 2/20 0.46
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
PARP1 P09874 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE9A O76083 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL824608 0.85 TNKS (0.53) TNKSPARP1KDM4EMAPTMEN1
SCHEMBL824609 0.84 TNKS (0.48) TNKSIP6K1PARP1KDM4EMAPT
SCHEMBL824671 0.84 TNKS (0.48) TNKSPARP1KDM4EMAPTMEN1
SCHEMBL824658 0.80 TNKS (0.45) TNKSIP6K1PARP1KDM4EMAPT
SCHEMBL9084339 0.80 TNKS (0.48) TNKSPARP1KDM4EMAPT
SCHEMBL824731 0.79 TNKS (0.44) TNKSIP6K1PARP1KDM4EMAPT
SCHEMBL828336 0.79 TNKS (0.48) TNKSPARP1KDM4EMAPT
SCHEMBL5975957 0.78 TNKS (0.43) TNKSPARP1KDM4EMAPTMEN1
Trifluoroacetic Acid SCHEMBL828018 0.77 TNKS (0.42) TNKSPARP1KDM4EMAPT
SCHEMBL824711 0.76 NTSR1 (0.44) TNKS

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 4871/4885IP6K1 3781/4885CSF1R 2486/4885

“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.