SCHEMBL2720488

SCHEMBL2720488

C[C@H](Nc1ncnc2[nH]cnc12)c1cnc2ccc(F)cc2c1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.49
MAP4K4 O95819 2/20 0.48
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
PIK3CG P48736 2/20 0.43
BCL2 P10415 1/20 0.42
EGFR P00533 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
DYRK1A Q13627 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
SCHEMBL2718225 1.00 PIK3CD (0.49) PIK3CDMAP4K4AXLMERTKPIK3CG
SCHEMBL2731870 1.00 PIK3CD (0.49) PIK3CDMAP4K4AXLMERTKPIK3CG
SCHEMBL2718285 0.93 PIK3CD (0.48) PIK3CDMAP4K4PIK3CGEGFRPIK3CA
SCHEMBL2718319 0.93 PIK3CD (0.48) PIK3CDMAP4K4PIK3CGEGFRPIK3CA
SCHEMBL4100943 0.93 PIK3CD (0.48) PIK3CDMAP4K4PIK3CGEGFRPIK3CA
SCHEMBL2719008 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBDYRK1A
SCHEMBL2013360 0.83 PIK3CD (0.60) PIK3CDMAP4K4AXLMERTKPIK3CG
SCHEMBL4097948 0.83 EGFR (0.46) PIK3CDMAP4K4AXLMERTKPIK3CG
SCHEMBL4098801 0.83 EGFR (0.46) PIK3CDMAP4K4AXLMERTKPIK3CG
SCHEMBL2017408 0.82 PIK3CD (0.64) PIK3CDMAP4K4AXLMERTKPIK3CG

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-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
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP 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 1672/4885MAP4K4 1361/4885AXL 1072/4885

“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.