SCHEMBL3241200

SCHEMBL3241200

COC(=O)c1ccc2cncc(O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
MAPK1 P28482 2/20 0.44
PTGER4 P35408 1/20 0.42
ATM Q13315 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PIM1 P11309 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL4580779 0.83 MAPK1 (0.42) LCKMAPK1PTGER4ATMCYP11B1
SCHEMBL13313431 0.80 KDM4E (0.61) KDM4EKMT2AL3MBTL1PIM1ALDH1A1
SCHEMBL16228207 0.79 LCK (0.44) LCKMAPK1PTGER4ATMKDM4E
SCHEMBL4728751 0.79 MAPK1 (0.40) LCKMAPK1PTGER4CYP11B1CYP11B2
SCHEMBL847651 0.79 KDM4E (0.65) PTGER4KDM4EKMT2APIM1CA12
SCHEMBL4995737 0.79 MAPK1 (0.50) LCKMAPK1PTGER4KDM4EKMT2A
SCHEMBL28709185 0.76 CDC7 (0.45) LCKMAPK1PTGER4ATMKDM4E
SCHEMBL7362663 0.74 KDM4E (0.77) KDM4EKMT2APIM1CA12CA1
SCHEMBL15742916 0.73 ALDH1A1 (0.43) MAPK1KDM4EKMT2AALDH1A1CCNC
SCHEMBL16228012 0.72 KDM4E (0.46) LCKMAPK1PTGER4KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 LCK 3742/4885MAPK1 2467/4885PTGER4 4211/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 LCK 3984/4885MAPK1 2209/4885PTGER4 4009/4885

“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.