SCHEMBL4100943

SCHEMBL4100943

C[C@H](Nc1ncnc2[nH]cnc12)c1cnc2ccc(F)cc2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.48
PIK3CG P48736 12/20 0.48
PIK3CB P42338 11/20 0.48
PIK3CA P42336 10/20 0.48
CYP3A4 P08684 4/20 0.44
EGFR P00533 3/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
MAP4K4 O95819 1/20 0.41

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
SCHEMBL2718285 1.00 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2718319 1.00 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2718225 0.93 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAEGFR
SCHEMBL2720488 0.93 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAEGFR
SCHEMBL2731870 0.93 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAEGFR
SCHEMBL2719008 0.89 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL13063147 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL13063148 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2717305 0.81 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2720010 0.80 PIK3CD (0.74) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4

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 2394/4885PIK3CB 1689/4885

“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.