SCHEMBL248754

SCHEMBL248754

COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3cccc(NS(C)(=O)=O)c3)c2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.47
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIK3CD O00329 1/20 0.40
PTK2 Q05397 1/20 0.39
PIK3CG P48736 1/20 0.39
MTOR P42345 3/20 0.37
TP53 P04637 3/20 0.37
KIT P10721 1/20 0.36
BRAF P15056 2/20 0.36
PIK3C2B O00750 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
SCHEMBL247874 0.95 PIK3CA (0.47) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL248966 0.94 CYP1A2 (0.42) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL14849132 0.91 LMNA (0.43) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL247630 0.90 CYP1A2 (0.42) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL247566 0.85 PIK3CA (0.46) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL245627 0.83 PIK3CD (0.58) PIK3CALMNACYP1A2CYP3A4TSHR
SCHEMBL3405701 0.80 PIK3CA (0.53) PIK3CAPIK3CDMTORKITBRAF
SCHEMBL247290 0.79 PIK3CA (0.52) PIK3CACLK4PIK3CDKIT
SCHEMBL2711544 0.77 PIK3CA (0.64) PIK3CAPIK3CD
SCHEMBL247991 0.76 PIK3CD (0.61) PIK3CAPIK3CDPIK3CGMTORBRAF

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 5 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

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 28/4885LMNA 2505/4885CYP1A2 2019/4885

“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.