SCHEMBL824642

SCHEMBL824642

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.42
LRRK2 Q5S007 1/20 0.40
TNKS O95271 4/20 0.39
FFAR4 Q5NUL3 1/20 0.38
IP6K1 Q92551 1/20 0.38
BRD4 O60885 1/20 0.38
HTR2C P28335 1/20 0.37
PDE7A Q13946 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
SCHEMBL824917 0.87 NPY5R (0.47) VCPTNKSIP6K1
SCHEMBL824594 0.87 TYMP (0.43) TNKS
SCHEMBL10226273 0.86 MGLL (0.45) VCPTNKS
SCHEMBL824628 0.83 KIF11 (0.50) TNKSIP6K1
SCHEMBL824644 0.83 NPY5R (0.43) VCPTNKS
SCHEMBL824641 0.83 PIK3C3 (0.41) BRD4HTR2CPDE7A
SCHEMBL824899 0.82 KIF11 (0.52) TNKSIP6K1
SCHEMBL824586 0.80 MGLL (0.41) HTR2CPDE7A
SCHEMBL824640 0.80 KIF11 (0.54)
SCHEMBL824583 0.80 TNKS (0.58) TNKS

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 VCP 4119/4885LRRK2 3208/4885TNKS 4871/4885

“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.