SCHEMBL246004

SCHEMBL246004

Nc1nc(N2CCOCC2)ncc1-c1ccc(OC(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.45
MTOR P42345 10/20 0.45
RICTOR Q6R327 4/20 0.45
RPTOR Q8N122 4/20 0.45
MAPKAP1 Q9BPZ7 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
KMT2A Q03164 1/20 0.45
PIK3R1 P27986 5/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
MAP3K12 Q12852 2/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PIK3CG P48736 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL248275 0.79 PIK3CA (0.44) PIK3CAMTORMAP3K12BTK
SCHEMBL243086 0.72 PIK3CA (0.48) PIK3CAMTORKMT2APIK3R1PIK3CD
SCHEMBL9695483 0.71 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2558872 0.71 DHFR (0.60) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL26523088 0.71 BCL6 (0.47) KDM4EALDH1A1CYP1A2
SCHEMBL24196192 0.70 KDM4E (0.69) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL1334257 0.69 CNR2 (0.46) PIK3CA
SCHEMBL1334256 0.69 CNR2 (0.46) PIK3CA
SCHEMBL23365156 0.68 CYP3A4 (0.79) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL26647400 0.67 PIK3CA (0.56) PIK3CAMTORKMT2APIK3R1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 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 (1 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CA 26/4885MTOR 294/4885RICTOR 1019/4885

“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.