SCHEMBL2279287

SCHEMBL2279287

COc1ccc(Cl)c(Nc2nc3cccnc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.63
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
PIK3CG P48736 7/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PRKDC P78527 1/20 0.54
PIK3C3 Q8NEB9 1/20 0.54
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
PLAU P00749 1/20 0.44

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
SCHEMBL2280416 1.00 PIK3CD (0.63) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL2283635 0.91 PIK3CD (0.77) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL2277770 0.91 PIK3CD (0.77) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL189214 0.91 PIK3CG (0.63) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL2278792 0.88 PIK3CD (0.68) PIK3CDMEN1KMT2APIK3CGPIK3CA
SCHEMBL2277524 0.88 PIK3CD (0.68) PIK3CDMEN1KMT2APIK3CGPIK3CA
SCHEMBL189113 0.86 MEN1 (0.58) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL188968 0.86 MEN1 (0.58) PIK3CDMEN1KMT2ATDP1PIK3CG
SCHEMBL2278848 0.85 PIK3CD (0.66) PIK3CDMEN1KMT2APIK3CGPIK3CA
SCHEMBL2283565 0.85 PIK3CD (0.66) PIK3CDMEN1KMT2APIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885MEN1 3161/4885KMT2A 2013/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885MEN1 3161/4885KMT2A 2013/4885

“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.