SCHEMBL4334502

SCHEMBL4334502

Cc1cc(=O)n(-c2ccc(F)c(Cl)c2)n1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.56
KAT2B Q92831 2/20 0.49
PIN1 Q13526 1/20 0.49
BRD9 Q9H8M2 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 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
SCHEMBL4322796 0.83 NAPRT (0.68) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL4332546 0.80 NAPRT (0.69) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL3531406 0.80 NAPRT (0.68) NAPRTKMT2AMEN1GAAPOLB
SCHEMBL29238932 0.79 NAPRT (0.61) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL4322495 0.76 BRD9 (0.45) KAT2BPIN1BRD9KMT2AMEN1
SCHEMBL5052007 0.75 NAPRT (0.72) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL23907015 0.73 NAPRT (0.64) NAPRTKMT2AMEN1POLBRECQL
SCHEMBL4849110 0.73 NAPRT (0.68) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL11049152 0.73 NAPRT (0.68) NAPRTKMT2APOLBCYP1A2ALDH1A1
SCHEMBL11005335 0.73 NAPRT (0.68) NAPRTKAT2BKMT2AMEN1MAPT

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 NAPRT 2063/4885KAT2B 2082/4885PIN1 3805/4885

“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.