SCHEMBL824917

SCHEMBL824917

O=c1[nH]c(-c2ccccc2)cc2ccc(N3CCC(O)CC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
VCP P55072 5/20 0.45
IP6K1 Q92551 1/20 0.42
TNKS O95271 3/20 0.40
PARP1 P09874 1/20 0.39
KIF11 P52732 2/20 0.38
MGLL Q99685 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL824644 0.93 NPY5R (0.43) NPY5RVCPTNKSABL1
SCHEMBL824642 0.87 VCP (0.42) VCPIP6K1TNKS
SCHEMBL824650 0.86 ADORA1 (0.39) NPY5RVCPTNKSPARP1KIF11
SCHEMBL824628 0.86 KIF11 (0.50) NPY5RIP6K1TNKSPARP1KIF11
SCHEMBL824899 0.85 KIF11 (0.52) NPY5RIP6K1TNKSKIF11
SCHEMBL824699 0.84 PIK3CB (0.42) VCPIP6K1TNKSABL1
SCHEMBL824583 0.83 TNKS (0.58) TNKSPARP1KIF11ABL1
SCHEMBL824640 0.83 KIF11 (0.54) NPY5RKIF11
SCHEMBL10226273 0.82 MGLL (0.45) VCPTNKSMGLL
SCHEMBL824638 0.82 PIK3C3 (0.41) NPY5R

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 113/4885VCP 4119/4885IP6K1 3781/4885

“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.