SCHEMBL4060329

SCHEMBL4060329

CCOC(=O)c1ccc(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
MAPT P10636 8/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
FLT3 P36888 2/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 3/20 0.43
HCRTR1 O43613 2/20 0.43
PKM P14618 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
SCHEMBL4065919 0.84 MAPT (0.51) CCNE1CDK2MAPTCDK5CDK5R1
SCHEMBL4065913 0.84 MAPT (0.51) CCNE1CDK2MAPTCDK5CDK5R1
SCHEMBL2600368 0.81 HCRTR1 (0.44) CDK2MAPTKDM4ERAB9ANPC1
SCHEMBL2128792 0.81 DYRK3 (0.52) CDK2MAPTKDM4ERAB9ANPC1
SCHEMBL11094523 0.79 MAPT (0.49) MAPTKDM4ERAB9ANPC1MAOB
SCHEMBL4029976 0.78 HRH4 (0.52) CCNE1CDK2CDK5CDK5R1GSK3A
SCHEMBL4064005 0.78 HDAC4 (0.46) CCNE1CDK2MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL4062061 0.77 HDAC4 (0.45) CCNE1CDK2MAPTKDM4ERAB9A
SCHEMBL4061274 0.76 KDM4E (0.49) CCNE1CDK2MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL27601566 0.76 CCNE1 (0.39) CCNE1CDK2MAPTCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 CCNE1 949/4885CDK2 245/4885MAPT 1319/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CCNE1 1466/4885CDK2 655/4885MAPT 1633/4885

“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.