SCHEMBL824644

SCHEMBL824644

O=c1[nH]c(-c2ccccc2)cc2ccc(N3CCC(O)C3)cc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PRKDC P78527 2/20 0.41
VCP P55072 1/20 0.41
ABL1 P00519 1/20 0.40
NTSR1 P30989 3/20 0.39
TNKS O95271 1/20 0.39
AR P10275 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL824650 0.93 ADORA1 (0.39) NPY5RVCPTNKS
SCHEMBL824917 0.93 NPY5R (0.47) NPY5RVCPABL1TNKS
SCHEMBL824725 0.85 PIK3C3 (0.36) ABL1SLC40A1
SCHEMBL824642 0.83 VCP (0.42) VCPTNKS
SCHEMBL824652 0.82 SOS1 (0.44) LOXL2
SCHEMBL824594 0.82 TYMP (0.43) TNKS
SCHEMBL824628 0.82 KIF11 (0.50) NPY5RTNKS
SCHEMBL824899 0.81 KIF11 (0.52) NPY5RTNKS
SCHEMBL824661 0.80 MGLL (0.41) NTSR1
SCHEMBL824631 0.79 MAPT (0.40) VCPABL1SLC40A1

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 NPY5R 113/4885LOXL2 4052/4885PRKDC 4879/4885

“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.