SCHEMBL3777876

SCHEMBL3777876

C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccncc2cc1-c1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.76
PIK3CG P48736 15/20 0.76
PIK3CB P42338 14/20 0.63
PIK3CA P42336 13/20 0.63
PIK3R1 P27986 1/20 0.53
CYP2D6 P10635 1/20 0.52

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
SCHEMBL3782682 1.00 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3777874 1.00 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2717719 0.86 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3772850 0.84 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3776941 0.84 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3776936 0.84 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3785888 0.83 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL3779744 0.83 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL3783408 0.82 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL3775530 0.82 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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 (2 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 15/4885PIK3CG 53/4885PIK3CB 35/4885
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 25/4885PIK3CG 59/4885PIK3CB 43/4885

“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.