SCHEMBL1001568

SCHEMBL1001568

Cc1cc(Br)cc2c1C(=O)N(CC1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CG P48736 3/20 0.42
PIK3CA P42336 2/20 0.42
PARP1 P09874 6/20 0.38
PARP2 Q9UGN5 2/20 0.38
NR1I2 O75469 1/20 0.36
UGCG Q16739 1/20 0.36
GRM2 Q14416 3/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3R1 P27986 1/20 0.33
BRD4 O60885 2/20 0.32
MAPK1 P28482 1/20 0.32
GRM5 P41594 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL29314729 0.83 PIK3CG (0.41) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL8271584 0.83 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL1003707 0.83 PARP1 (0.38) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL13613670 0.83 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL1001933 0.83 PIK3CG (0.42) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL24469663 0.77 PARP1 (0.56) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL2022710 0.76 TP53 (0.36) PARP1GRM2
SCHEMBL1002883 0.76 PARP1 (0.47) PIK3CDPIK3CGPIK3CAPARP1PARP2
SCHEMBL4751133 0.75 TAS1R3 (0.34) PIK3CDPIK3CGPIK3R1BRD4TAS1R3
SCHEMBL2025050 0.75 PARP1 (0.48) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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 (3 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 PIK3CD 1435/4885PIK3CG 1990/4885PIK3CA 1337/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 PIK3CD 1029/4885PIK3CG 1735/4885PIK3CA 1203/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PIK3CD 1435/4885PIK3CG 1990/4885PIK3CA 1337/4885

“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.