SCHEMBL10147539

SCHEMBL10147539

COc1c(C(C)Nc2ncnc(N)c2C#N)nc2ccc(F)cc2c1C(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.66
PIK3CB P42338 20/20 0.66
PIK3CG P48736 20/20 0.66
PIK3CA P42336 18/20 0.66
CYP2D6 P10635 1/20 0.63
CYP3A4 P08684 4/20 0.60

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
SCHEMBL10147638 0.91 PIK3CD (0.79) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL1694734 0.89 PIK3CD (0.79) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL10147635 0.89 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3845417 0.88 PIK3CD (0.84) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2717338 0.88 PIK3CD (0.84) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL1695311 0.87 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695294 0.86 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1694906 0.85 PIK3CD (0.77) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695071 0.84 PIK3CD (0.77) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1694666 0.83 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6

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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 PIK3CD 1181/4885PIK3CB 1532/4885PIK3CG 2150/4885

“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.