SCHEMBL249148

SCHEMBL249148

Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3Br)c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.55
PIK3CA P42336 18/20 0.53
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
SMG1 Q96Q15 1/20 0.36

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
SCHEMBL246504 0.91 PIK3CD (0.66) PIK3CDPIK3CA
SCHEMBL246471 0.85 PIK3CD (0.49) PIK3CDPIK3CA
SCHEMBL249029 0.85 PIK3CD (0.52) PIK3CDPIK3CA
SCHEMBL248643 0.85 PIK3CD (0.52) PIK3CDPIK3CACDK1CDK2SMG1
SCHEMBL248533 0.84 PIK3CD (0.54) PIK3CDPIK3CA
SCHEMBL247333 0.84 PIK3CD (0.52) PIK3CDPIK3CA
SCHEMBL243776 0.84 PIK3CA (0.52) PIK3CDPIK3CA
SCHEMBL2712531 0.83 PIK3CD (0.65) PIK3CDPIK3CA
SCHEMBL14849163 0.83 PIK3CD (0.68) PIK3CDPIK3CA
SCHEMBL3413070 0.83 PIK3CD (0.49) PIK3CDPIK3CACDK2

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 28/4885CDK1 118/4885

“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.