SCHEMBL246154

SCHEMBL246154

COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccc3S(C)(=O)=O)nc3cc(F)cc(F)c23)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.49
PIK3CD O00329 2/20 0.48
PI4KA P42356 2/20 0.36
PIK3CG P48736 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 1/20 0.35
SOS1 Q07889 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34
ZAP70 P43403 1/20 0.34

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
SCHEMBL2711327 0.91 PIK3CD (0.53) PIK3CAPIK3CDPI4KAPIK3CGJAK2
SCHEMBL2711859 0.88 PIK3CD (0.59) PIK3CAPIK3CDPI4KAPIK3CGJAK2
SCHEMBL247235 0.87 PIK3CD (0.64) PIK3CAPIK3CDPIK3CGATR
SCHEMBL247661 0.86 PIK3CD (0.49) PIK3CAPIK3CDPI4KAPIK3CGJAK2
SCHEMBL248178 0.85 PIK3CD (0.53) PIK3CAPIK3CDPIK3CGJAK2JAK3
SCHEMBL249119 0.85 PIK3CD (0.52) PIK3CAPIK3CDPIK3CGJAK2JAK3
SCHEMBL14849149 0.85 PIK3CD (0.47) PIK3CAPIK3CDJAK2JAK3PTK2
SCHEMBL248533 0.85 PIK3CD (0.54) PIK3CAPIK3CDPIK3CGJAK2JAK3
SCHEMBL245470 0.84 PIK3CD (0.47) PIK3CAPIK3CDJAK2JAK3PTK2
SCHEMBL27883224 0.84 PIK3CA (0.44) PIK3CAPIK3CDPI4KAPIK3CGJAK2

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 28/4885PIK3CD 24/4885PI4KA 142/4885

“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.