SCHEMBL4322668

SCHEMBL4322668

Cn1c(CBr)c(Br)c(=O)n1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.36
PARP2 Q9UGN5 3/20 0.36
PARP3 Q9Y6F1 1/20 0.35
MAPK1 P28482 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
SMURF1 Q9HCE7 2/20 0.32
ADORA2A P29274 3/20 0.31
CTSK P43235 2/20 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
SCHEMBL4324545 0.83 CNR2 (0.35) PARP1PARP2PARP3MAPK1GSK3A
SCHEMBL4326610 0.81 CNR2 (0.33) PARP1PARP2PARP3MAPK1SMURF1
SCHEMBL4329240 0.80 KDM4E (0.35) PARP1PARP2PARP3MAPK1GSK3A
SCHEMBL4327972 0.78 KDM4E (0.33) PARP1PARP2MAPK1SMURF1
SCHEMBL4323167 0.78 SMURF1 (0.41) PARP1PARP2MAPK1SMURF1
SCHEMBL4324410 0.76 SMURF1 (0.39) PARP1PARP2MAPK1SMURF1
SCHEMBL13914116 0.70 SIGMAR1 (0.46)
SCHEMBL4332440 0.69 TSHR (0.35) PARP1PARP2PARP3MAPK1GSK3A
SCHEMBL4325586 0.68 CNR2 (0.36) GSK3AGSK3B
SCHEMBL4325823 0.68 GSK3A (0.36) MAPK1GSK3AGSK3BADORA2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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 (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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A PARP1 3649/4885PARP2 4559/4885PARP3 3978/4885

“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.