SCHEMBL247192

SCHEMBL247192

CC1COCCN1c1cccc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.52
PIK3CD O00329 3/20 0.52
ATR Q13535 10/20 0.47
MTOR P42345 7/20 0.46
PDCD1 Q15116 7/20 0.46
CD274 Q9NZQ7 7/20 0.46
ATRIP Q8WXE1 7/20 0.46
CHEK1 O14757 6/20 0.46
PDPK1 O15530 2/20 0.46
ROCK1 Q13464 2/20 0.46
AURKB Q96GD4 2/20 0.46
AURKA O14965 1/20 0.46
PIK3R1 P27986 2/20 0.46
ATM Q13315 1/20 0.45
AKT1 P31749 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45

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
SCHEMBL22163221 1.00 PIK3CA (0.52) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL22163219 1.00 PIK3CA (0.52) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL21262049 0.82 PIK3CD (0.52) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL22578850 0.82 PIK3CD (0.52) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL25275495 0.82 PIK3CD (0.58) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL22116376 0.81 ATR (0.48) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL22116377 0.81 ATR (0.48) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL3081642 0.79 MTOR (0.54) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL3083698 0.78 PDPK1 (0.58) PIK3CAPIK3CDATRMTORPDCD1
SCHEMBL11634928 0.78 MTOR (0.54) PIK3CAPIK3CDATRMTORPDCD1

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 28/4885PIK3CD 24/4885ATR 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.