SCHEMBL247908

SCHEMBL247908

Cc1c(-c2ccccn2)nc2c(C(=O)O)cccc2c1Nc1cc(N2CCOCC2)ncc1-c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PKM P14618 1/20 0.38
CFTR P13569 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3R2 O00459 1/20 0.37
PLAUR Q03405 2/20 0.37
METAP1 P53582 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SCN9A Q15858 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 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
SCHEMBL248827 0.93 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL246713 0.89 PIK3R2 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL248197 0.87 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL248832 0.80 ATR (0.42) PIK3CDPIK3CAPIK3R2MTOR
SCHEMBL247947 0.79 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL245595 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL246384 0.75 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL247845 0.74 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL247470 0.74 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBRAF1BRAF
SCHEMBL247237 0.73 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG

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 24/4885PKM 3204/4885CFTR 4261/4885

“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.