SCHEMBL2503789

SCHEMBL2503789

CNC(=O)c1cccc2nc([C@H](C)Nc3nnc(N)s3)n(C3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.36
PIK3R2 O00459 9/20 0.36
PIK3CG P48736 3/20 0.36
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2505347 0.80 TP53 (0.39) PIK3CDCYP2C9
SCHEMBL2508692 0.80 TP53 (0.39) PIK3CDCYP2C9
SCHEMBL2506848 0.78 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL2506846 0.78 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL2503185 0.77 PIK3CD (0.62) PIK3CDPIK3R2PIK3CG
SCHEMBL2503487 0.76 PIK3CD (0.46) PIK3CDPIK3R2PIK3CG
SCHEMBL2505862 0.76 PIK3CD (0.49) PIK3CDPIK3R2PIK3CG
SCHEMBL2505077 0.76 PIK3CD (0.38) PIK3CDPIK3CGCYP2C9
SCHEMBL2505074 0.76 PIK3CD (0.38) PIK3CDPIK3CGCYP2C9
SCHEMBL2505055 0.76 PIK3CD (0.43) PIK3CDPIK3R2PIK3CG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3R2 69/4885PIK3CG 54/4885

“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.