SCHEMBL4339461

SCHEMBL4339461

[CH2]c1c(-c2ccccc2)cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.40
ADORA2A P29274 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKT1 P31749 1/20 0.35
USP7 Q93009 2/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL4324071 0.86 ADORA1 (0.41) ADORA1ADORA2APTGS1PTGS2MEN1
SCHEMBL1821593 0.84 ADORA1 (0.44) ADORA1ADORA2APTGS1PTGS2MEN1
SCHEMBL4327679 0.78 NPC1 (0.40) ADORA1ADORA2APTGS1PTGS2MEN1
SCHEMBL10381958 0.77 ADORA1 (0.40) ADORA1ADORA2APTGS1PTGS2MEN1
SCHEMBL10205842 0.77 USP7 (0.45) ADORA1ADORA2APTGS1PTGS2MEN1
Acetic Acid SCHEMBL29074101 0.74 GABRA1 (0.42) ADORA1ADORA2AMEN1NPC1RAB9A
SCHEMBL7219735 0.73 GRM5 (0.51) ADORA1ADORA2AMEN1KMT2A
Bromide SCHEMBL2459242 0.72 USP7 (0.40) ADORA1ADORA2APTGS1PTGS2MEN1
Nitric Acid SCHEMBL28587550 0.72 TAAR1 (0.44) ADORA1ADORA2APTGS1PTGS2MEN1
SCHEMBL10300877 0.71 ADORA2A (0.50) ADORA1ADORA2ANPC1RAB9ACKS1B

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 3 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
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

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 ADORA1 81/4885ADORA2A 131/4885PTGS1 1275/4885

“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.