SCHEMBL16490590

SCHEMBL16490590

CC(=O)Nc1nc(C)c(-c2ccc(C)c(S(=O)(=O)NCCN3CCOCC3)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.59
PIK3CD O00329 10/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 4/20 0.59
PIK3C3 Q8NEB9 3/20 0.59
PIK3C2A O00443 1/20 0.59
PIK3C2B O00750 1/20 0.59
PI4KA P42356 1/20 0.59
PRKDC P78527 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.49

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
SCHEMBL14851612 0.92 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL14851611 0.92 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL14851718 0.90 PIK3CD (0.73) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL50025 0.85 PIK3CD (0.71) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL16490408 0.85 PIK3CD (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL925738 0.83 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1237544 0.83 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL48902 0.82 TDP1 (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL48581 0.82 PIK3CD (0.76) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL16490401 0.82 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3

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-9309236-B2 PI-kinase inhibitors with broad spectrum anti-infective activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-12 US disclosed
US-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-02-19 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-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity PIP4K2A, PIP5K1A, PIP4K2C PIK3CG 22/4885PIK3CD 20/4885PIK3CA 25/4885

“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.