SCHEMBL249060

SCHEMBL249060

COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.60
PIK3CA P42336 17/20 0.45
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
PIK3CB P42338 4/20 0.38
PIK3CG P48736 3/20 0.38
PIK3R1 P27986 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
YES1 P07947 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
HIPK1 Q86Z02 1/20 0.37

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
SCHEMBL247262 0.93 PIK3CD (0.50) PIK3CDPIK3CAATRATRIPPIK3CB
SCHEMBL247237 0.92 PIK3CD (0.63) PIK3CDPIK3CAATRATRIPPIK3CB
SCHEMBL247947 0.91 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL247672 0.91 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2713399 0.91 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL3778350 0.91 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL247476 0.90 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL248545 0.90 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL248111 0.90 PIK3CD (0.47) PIK3CDPIK3CAATRATRIPPIK3CB
SCHEMBL14849159 0.90 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPIM1

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 PIK3CD 24/4885PIK3CA 28/4885ATR 203/4885

“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.