SCHEMBL4086336

SCHEMBL4086336

C[C@H](Nc1ncnc(N)c1C#N)c1cnc2c(Cl)cccc2c1-c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.69
PIK3CD O00329 19/20 0.60
PIK3CG P48736 10/20 0.60
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
AXL P30530 1/20 0.52
MERTK Q12866 1/20 0.52
PIK3R2 O00459 5/20 0.51

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
SCHEMBL4104175 1.00 BCL2 (0.69) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2718750 1.00 BCL2 (0.69) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2717646 0.91 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL15437086 0.91 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4101759 0.91 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL15437121 0.91 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4101416 0.89 BCL2 (0.54) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2718441 0.85 PIK3CD (0.60) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2717866 0.85 PIK3CD (0.65) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL15437041 0.85 PIK3CD (0.65) BCL2PIK3CDPIK3CGPIK3CAPIK3CB

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 3 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
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 BCL2 157/4885PIK3CD 1672/4885PIK3CG 2394/4885

“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.