SCHEMBL4087808

SCHEMBL4087808

C[C@H](Nc1ncnc(N)c1C#N)c1cnc2ccc(F)cc2c1-c1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.76
PIK3CG P48736 18/20 0.76
PIK3CB P42338 17/20 0.76
PIK3CA P42336 16/20 0.76
CYP2D6 P10635 1/20 0.58
PIK3R1 P27986 2/20 0.58
CYP3A4 P08684 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
SCHEMBL4087846 1.00 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2718892 1.00 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL10198872 0.93 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL10198868 0.93 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2719868 0.93 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2717767 0.90 PIK3CD (0.62) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2717612 0.89 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL15437004 0.89 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL15437078 0.89 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL15437120 0.89 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.