SCHEMBL824906

SCHEMBL824906

O=c1[nH]c(-c2ccccc2)cc2ccc(NCCN3CCOCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
PARP1 P09874 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACP1 P24666 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAD52 P43351 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TLR9 Q9NR96 2/20 0.46
TNKS O95271 1/20 0.45
TOP2A P11388 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL824634 0.82 CYP1A2 (0.43) ADORA2AADORA1PARP1NPC1RAB9A
SCHEMBL824682 0.82 PARP1 (0.56) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL824686 0.79 PARP1 (0.44) ADORA2AADORA1PARP1TNKS
SCHEMBL824925 0.79 TNKS (0.41) ADORA2AADORA1PARP1KDM4ETNKS
SCHEMBL828302 0.78 BRD4 (0.51) ADORA2AADORA1PARP1MEN1KMT2A
SCHEMBL10226389 0.78 TNKS (0.43) ADORA2AADORA1PARP1KDM4EGAA
SCHEMBL824711 0.78 NTSR1 (0.44) NPY5RTNKS
SCHEMBL828455 0.77 PIK3CD (0.42) ADORA2AADORA1PARP1MEN1KMT2A
SCHEMBL20509943 0.77 POLB (0.51) NPY5RADORA2AADORA1PARP1NPC1
SCHEMBL824935 0.76 ITK (0.49) ADORA2AADORA1PARP1MEN1KMT2A

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 NPY5R 113/4885ADORA2A 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.