SCHEMBL13640227

SCHEMBL13640227

CCCC1CCN(Cc2cc3nc(-c4cc(S(=O)(=O)N(C)C)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.64
PIK3CA P42336 13/20 0.64
PIK3CB P42338 13/20 0.64
PIK3CG P48736 13/20 0.64
CYP3A4 P08684 3/20 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
SCHEMBL2466752 0.93 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL13640250 0.92 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2529262 0.90 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL3624680 0.90 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL12926419 0.89 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2463045 0.89 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2468216 0.88 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL12013097 0.85 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL3619688 0.85 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL13640264 0.85 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 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 (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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 6/4885

“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.