SCHEMBL2948020

SCHEMBL2948020

C=CCn1c(=O)n(O)c(=O)c2c1nc(C)n2C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 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
SCHEMBL11044975 0.68 USP2 (0.41) ADORA2BALDH1A1USP2KDM4EMAPT
SCHEMBL13247692 0.67 USP2 (0.43) ADORA2BALDH1A1USP2MAPTLMNA
SCHEMBL20432259 0.66 USP2 (0.45) ADORA2BALDH1A1USP2LMNAHTT
SCHEMBL24669059 0.66 CYP3A4 (0.76) ADORA2BALDH1A1USP2KDM4EMAPT
SCHEMBL9167977 0.65 ALDH1A1 (0.65) ADORA2BALDH1A1USP2KDM4EMAPT
SCHEMBL11044972 0.65 ADORA2B (0.42) ADORA2BALDH1A1USP2KDM4EMAPT
SCHEMBL2704481 0.65 KMT2A (0.59) ADORA2BALDH1A1MAPTL3MBTL1
SCHEMBL19246063 0.64 MEN1 (0.48) ADORA2BALDH1A1KDM4EHPGDLMNA
SCHEMBL5688389 0.64 ADORA2B (0.51) ADORA2B
SCHEMBL5718940 0.64 USP2 (0.72) ADORA2BALDH1A1USP2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2012-08-09 US disclosed
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US disclosed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP disclosed
EP-1982704-A2 New molecular target of neurotoxicity Exonhit Therapeutics SA (FR) 2008-10-22 EP disclosed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US disclosed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US disclosed
EP-1417349-A2 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY Exonhit Therapeutics S.A. (FR) 2004-05-12 EP disclosed
WO-2003016563-A2 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2003-02-27 WO disclosed
EP-0049494-B1 ESTERS OF 7-HYDROXYALKYL-1,3-DIMETHYL XANTHINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS LIPID DIMINISHERS King Consult GmbH (DE) 1985-04-17 EP disclosed
EP-0049494-A1 Esters of 7-hydroxyalkyl-1,3-dimethyl xanthines, process for their preparation and their application as lipid diminishers King Consult GmbH (DE) 1982-04-14 EP disclosed
US-4189469-A Pharmaceutical compositions HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (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-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening PDE4B, PDE4A, PDE4D ADORA2B 481/4885ALDH1A1 1640/4885USP2 780/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A ADORA2B 818/4885ALDH1A1 1463/4885USP2 1101/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A ADORA2B 818/4885ALDH1A1 1463/4885USP2 1101/4885

“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.