SCHEMBL13416397

SCHEMBL13416397

COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN3CCc4ccccc4C3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PIK3CG P48736 8/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 3/20 0.48
PIK3CD O00329 4/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PRKDC P78527 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL189074 0.96 KDM4E (0.54) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416401 0.91 PIK3CG (0.51) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416234 0.88 PIK3CG (0.52) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416106 0.87 PIK3CG (0.55) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416538 0.87 PIK3CG (0.51) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416520 0.87 PIK3CG (0.51) KDM4EPIK3CGKMT2APIK3CDPIK3CA
SCHEMBL13416286 0.87 SMN1; SMN2 (0.56) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416508 0.86 PIK3CG (0.50) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL189874 0.86 PIK3CG (0.54) KDM4EALDH1A1PIK3CGHTTKMT2A
SCHEMBL13416314 0.86 PIK3CG (0.49) KDM4EALDH1A1PIK3CGHTTKMT2A

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-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885ALDH1A1 4075/4885PIK3CG 5/4885

“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.