SCHEMBL3776941

SCHEMBL3776941

C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ncccc2cc1-c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.71
PIK3CG P48736 13/20 0.71
PIK3CB P42338 12/20 0.61
PIK3CA P42336 11/20 0.61
PIK3R1 P27986 1/20 0.56

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
SCHEMBL3776936 1.00 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3772850 1.00 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3777876 0.84 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3782682 0.84 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3777874 0.84 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2717719 0.83 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL3785888 0.81 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3779744 0.81 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3775528 0.81 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3783408 0.81 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
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 (3 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
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CB 35/4885

“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.