SCHEMBL824671

SCHEMBL824671

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.48
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
APP P05067 2/20 0.43
PARP1 P09874 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NTSR1 P30989 2/20 0.37
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
ATM Q13315 1/20 0.36
APAF1 O14727 1/20 0.36
CASP6 P55212 1/20 0.36
NPC1 O15118 1/20 0.36
GUSB P08236 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.89 TNKS (0.53) TNKSKDM4EMAPTAPPPARP1
SCHEMBL824609 0.88 TNKS (0.48) TNKSKDM4EMAPTAPPPARP1
SCHEMBL824665 0.88 TNKS (0.44) TNKSKDM4EMAPTAPPPARP1
SCHEMBL5975957 0.87 TNKS (0.43) TNKSKDM4EMAPTAPPPARP1
SCHEMBL824702 0.84 TNKS (0.58) TNKSKDM4EMAPTPARP1MEN1
SCHEMBL824658 0.84 TNKS (0.45) TNKSKDM4EMAPTAPPPARP1
SCHEMBL824731 0.83 TNKS (0.44) TNKSKDM4EMAPTAPPPARP1
Trifluoroacetic Acid SCHEMBL828018 0.82 TNKS (0.42) TNKSKDM4EMAPTAPPPARP1
SCHEMBL824666 0.81 PDE10A (0.41) TNKSKDM4EPRKDCMEN1KMT2A
SCHEMBL824599 0.80 TNKS (0.38) TNKSKDM4EMAPTAPPPARP1

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 4871/4885KDM4E 2949/4885MAPT 3539/4885

“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.