SCHEMBL3242228

SCHEMBL3242228

CC(C)Oc1c(N2CCOCC2)ncc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.44
PIK3CD O00329 9/20 0.43
PIK3CG P48736 8/20 0.43
ATR Q13535 4/20 0.43
MTOR P42345 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
PRKDC P78527 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATRIP Q8WXE1 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
SCHEMBL3239336 0.77 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGMTORCYP1A2
Hydrochloric Acid SCHEMBL3246381 0.76 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGMTORCYP1A2
SCHEMBL25355866 0.75 CYP1A2 (0.49) PIK3CAATRTRPM8CYP1A2CYP2C9
SCHEMBL30454213 0.75 CYP1A2 (0.49) PIK3CAATRTRPM8CYP1A2CYP2C9
SCHEMBL3232011 0.72 POLB (0.46) MTORTRPM8
SCHEMBL3246298 0.72 MEN1 (0.46) MTOR
SCHEMBL13313522 0.68 KDM4E (0.41) CYP2C9
SCHEMBL15741641 0.68 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGMTORPRKDC
SCHEMBL28757969 0.68 FEN1 (0.43) CYP1A2
SCHEMBL10094264 0.67 CYP1A2 (0.52) PIK3CAPIK3CDPIK3CGTRPM8CYP1A2

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
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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US 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
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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 PIK3CA 3360/4885PIK3CD 3692/4885PIK3CG 3649/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 PIK3CA 3111/4885PIK3CD 3328/4885PIK3CG 3301/4885

“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.