SCHEMBL13075809

SCHEMBL13075809

COc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1NSC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.64
PIK3CA P42336 13/20 0.59
PIK3CB P42338 9/20 0.59
PIK3CG P48736 9/20 0.59
PIK3R2 O00459 1/20 0.59
PIK3R1 P27986 7/20 0.38
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL13075390 0.89 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL659765 0.88 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470241 0.86 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13075389 0.86 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13076084 0.85 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL19859026 0.85 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL19859021 0.85 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16266147 0.84 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL461788 0.83 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL463365 0.83 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US 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 (2 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-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 PIK3CD 73/4885PIK3CA 70/4885PIK3CB 51/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885

“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.