SCHEMBL246539

SCHEMBL246539

Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(N)nc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
MTOR P42345 3/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CD O00329 1/20 0.40
MAP3K12 Q12852 1/20 0.35

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
SCHEMBL249015 0.98 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CDMAP3K12
SCHEMBL248451 0.93 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL247272 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL248910 0.91 PIK3CA (0.51) PIK3CAMTORPIK3CD
SCHEMBL14840540 0.90 PIK3CA (0.43) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL246549 0.90 PIK3CA (0.47) PIK3CAMTORPIK3CD
SCHEMBL245514 0.89 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL245634 0.88 PIK3CA (0.47) PIK3CAMTORPIK3CD
SCHEMBL253321 0.88 PIK3CA (0.43) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL3414898 0.88 PIK3CA (0.47) PIK3CAMTORPIK3CBPIK3CD

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885MTOR 314/4885PIK3CB 40/4885

“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.