SCHEMBL1058560

SCHEMBL1058560

COc1ccc(C=NNc2ccnc3c2c(C)nn3-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.55
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NQO2 P16083 1/20 0.45
NR3C1 P04150 2/20 0.45
CFTR P13569 1/20 0.44
ATM Q13315 1/20 0.43
LRRK2 Q5S007 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43

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
SCHEMBL1058558 1.00 GSK3B (0.55) GSK3BKMT2AMEN1NPC1GAA
SCHEMBL1059295 0.90 GSK3B (0.49) GSK3BKMT2AMEN1NPC1RAB9A
SCHEMBL1059298 0.90 GSK3B (0.49) GSK3BKMT2AMEN1NPC1RAB9A
SCHEMBL1058014 0.88 KDM4E (0.49) GSK3BKMT2AMEN1NPC1RAB9A
SCHEMBL1058015 0.88 KDM4E (0.49) GSK3BKMT2AMEN1NPC1RAB9A
SCHEMBL2900205 0.85 KDM4E (0.54) GSK3BKMT2AMEN1NPC1GAA
SCHEMBL1057335 0.85 NR3C1 (0.46) GSK3BMAPTHPGDKDM4EALDH1A1
SCHEMBL1057333 0.85 NR3C1 (0.46) GSK3BMAPTHPGDKDM4EALDH1A1
SCHEMBL1056358 0.83 MAPT (0.49) GSK3BKMT2AMEN1NPC1GAA
SCHEMBL1056357 0.83 MAPT (0.49) GSK3BKMT2AMEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US claimed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP claimed
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits DIAXONHIT (FR) 2006-06-29 US claimed
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 claimed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US claimed
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2012-08-09 US disclosed
US-7872015-B2 Methods involving PDE4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2011-01-18 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-1417349-B1 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2008-11-19 EP disclosed
EP-1982704-A2 New molecular target of neurotoxicity Exonhit Therapeutics SA (FR) 2008-10-22 EP disclosed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US disclosed
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits DIAXONHIT (FR) 2006-06-29 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 GSK3B 701/4885KMT2A 2147/4885MEN1 4425/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A GSK3B 807/4885KMT2A 1469/4885MEN1 4671/4885
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies PDE4B, PDE4A, GABRA4 GSK3B 353/4885KMT2A 2024/4885MEN1 4415/4885
US-20060142326-A1 Use of pyrazolopyridines for the treatment of cognitive deficits QDPR, ACHE, GRN GSK3B 897/4885KMT2A 1737/4885MEN1 3709/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A GSK3B 807/4885KMT2A 1469/4885MEN1 4671/4885

“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.