SCHEMBL824608

SCHEMBL824608

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.53
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
APP P05067 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
PARP1 P09874 2/20 0.40
APAF1 O14727 1/20 0.37
CASP3 P42574 1/20 0.37
CASP6 P55212 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPC1 O15118 1/20 0.37
GUSB P08236 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT5 O14744 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
SCHEMBL824609 0.89 TNKS (0.48) TNKSADORA2AADORA1APPKDM4E
SCHEMBL824671 0.89 TNKS (0.48) TNKSADORA2AADORA1APPKDM4E
SCHEMBL824702 0.85 TNKS (0.58) TNKSKDM4EMAPTPARP1MEN1
SCHEMBL5975957 0.83 TNKS (0.43) TNKSADORA2AADORA1APPKDM4E
Trifluoroacetic Acid SCHEMBL828018 0.81 TNKS (0.42) TNKSADORA2AADORA1APPKDM4E
SCHEMBL824711 0.81 NTSR1 (0.44) TNKS
SCHEMBL824658 0.80 TNKS (0.45) TNKSADORA2AADORA1APPKDM4E
SCHEMBL9084339 0.80 TNKS (0.48) TNKSADORA2AADORA1KDM4EMAPT
SCHEMBL824731 0.79 TNKS (0.44) TNKSADORA2AADORA1APPKDM4E
SCHEMBL824665 0.79 TNKS (0.44) TNKSADORA2AADORA1APPKDM4E

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 8 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-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 4871/4885ADORA2A 2003/4885ADORA1 1334/4885

“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.