SCHEMBL1002272

SCHEMBL1002272

Cc1cc(C(Cc2ncccn2)C2CCNCC2)cc2c1C(=O)N(CC1CCCCC1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
BRD4 O60885 2/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CG P48736 4/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PIK3R1 P27986 1/20 0.30

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
SCHEMBL1005065 0.83 PARP1 (0.37) PARP1PIK3CGPIK3CDPIK3CAKDM4E
SCHEMBL1003205 0.83 PARP1 (0.39) PARP1
SCHEMBL1001864 0.79 PARP1 (0.39) PARP1PIK3CGPIK3CDPIK3CA
SCHEMBL1002132 0.79 PARP1 (0.39) PARP1PIK3CGPIK3CDPIK3CA
SCHEMBL1003211 0.78 PARP1 (0.41) PARP1PIK3CGPIK3CDPIK3CA
SCHEMBL1003904 0.78 PARP1 (0.38) PARP1MAPK1PIK3CGPIK3CDPIK3CA
SCHEMBL1001900 0.77 PARP1 (0.38) PARP1MAPK1PIK3CGPIK3CDPIK3CA
SCHEMBL1000991 0.77 PARP1 (0.40) PARP1
SCHEMBL4603960 0.75 PARP1 (0.39) PARP1BRD4MAPK1PIK3CGPIK3CD
SCHEMBL1000891 0.73 PARP1 (0.45) PARP1BRD4MAPK1PIK3CGPIK3CD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO 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 (2 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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 PARP1 3651/4885BRD4 1508/4885MAPK1 2286/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885BRD4 1508/4885MAPK1 2286/4885

“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.