SCHEMBL3414898

SCHEMBL3414898

Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.47
PIK3CD O00329 1/20 0.39
KIT P10721 1/20 0.34
MTOR P42345 2/20 0.33
PIK3CB P42338 1/20 0.33
ALK Q9UM73 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL247229 0.98 PIK3CA (0.46) PIK3CAPIK3CDKITMTORALK
SCHEMBL246258 0.89 PIK3CA (0.48) PIK3CAPIK3CDKIT
SCHEMBL245514 0.88 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL248451 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL246539 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL246549 0.88 PIK3CA (0.47) PIK3CAPIK3CDMTORALK
SCHEMBL248778 0.87 PIK3CA (0.47) PIK3CAPIK3CDMTORSYK
SCHEMBL245634 0.86 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL248461 0.86 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL249015 0.86 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 28/4885PIK3CD 24/4885KIT 111/4885

“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.