SCHEMBL4100816

SCHEMBL4100816

C[C@@H](Nc1ncnc(N)c1C#N)c1cnc2ccc(F)cc2c1-c1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.65
PIK3CG P48736 14/20 0.65
PIK3CA P42336 12/20 0.65
PIK3CB P42338 12/20 0.65
BCL2 P10415 1/20 0.62
CYP3A4 P08684 4/20 0.59
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
SCHEMBL2717866 1.00 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL15437195 1.00 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL4097174 0.94 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2719996 0.94 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2717249 0.94 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2719378 0.94 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
SCHEMBL15437120 0.94 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
SCHEMBL2720010 0.94 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
SCHEMBL2717256 0.93 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL15437041 0.93 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US claimed
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 PIK3CD 1672/4885PIK3CG 2394/4885PIK3CA 1430/4885

“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.