SCHEMBL890531

SCHEMBL890531

Cc1cccc2nc(C(C)Nc3ncnc(N)c3C#N)c(-c3ccccn3)c(=O)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CB P42338 4/20 0.59
PIK3CA P42336 3/20 0.58
PIK3CG P48736 3/20 0.58
PIK3R1 P27986 1/20 0.58

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
SCHEMBL890501 1.00 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL890473 1.00 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL890662 0.90 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL890718 0.90 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL890451 0.90 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL10120046 0.89 PIK3CD (0.80) PIK3CD
SCHEMBL12974195 0.89 PIK3CD (0.80) PIK3CD
SCHEMBL10120044 0.89 PIK3CD (0.80) PIK3CD
SCHEMBL890708 0.87 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL890464 0.87 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP claimed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US claimed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO claimed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CD 24/4885PIK3CB 40/4885PIK3CA 28/4885

“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.