SCHEMBL4332546

SCHEMBL4332546

Cc1cc(=O)n(-c2cccc(Cl)c2)n1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.69
MGLL Q99685 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.42
NOTUM Q6P988 2/20 0.42
MEN1 O00255 3/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL29238925 0.84 NAPRT (0.71) NAPRTMGLLKMT2AKDM4EMAPT
SCHEMBL4322796 0.82 NAPRT (0.68) NAPRTMGLLKMT2AGAAMAPT
Antipyrine SCHEMBL20452 0.82 NAPRT (1.00) NAPRTKMT2AKDM4EBCHEALDH1A1
SCHEMBL29238932 0.82 NAPRT (0.61) NAPRTKMT2AKDM4EGAAMAPT
Antipyrine SCHEMBL28445203 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEMEN1
Antipyrine SCHEMBL7020007 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEALDH1A1
Antipyrine SCHEMBL18260589 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEMEN1
Antipyrine SCHEMBL8995343 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEALDH1A1
Antipyrine SCHEMBL8736656 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEALDH1A1
Antipyrine SCHEMBL9845605 0.80 NAPRT (0.96) NAPRTKMT2AKDM4EBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962623-B2 Aminopyrazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140187529-A1 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2014-07-03 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
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
US-4822891-A ANALYZING HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1989-04-18 US disclosed
US-4711963-A 4-amino-2-methyl-3-phenyl-1-(2,4,6-trichlorophenyl)-3-pyrazolin-5-one FUJI PHOTO FILM CO., LTD. (JP) 1987-12-08 US 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-20140187529-A1 AMINOPYRAZINE COMPOUNDS ITK, IL4I1, IL5 NAPRT 648/4885MGLL 3961/4885KMT2A 1029/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A NAPRT 2063/4885MGLL 3539/4885KMT2A 2407/4885

“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.