SCHEMBL2279567

SCHEMBL2279567

COc1cc(Nc2nc3ncccc3nc2NS(=O)(=O)c2cccc(C(=O)O)c2)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.61
PIK3C2B O00750 1/20 0.56
PIK3C2G O75747 1/20 0.56
SLC40A1 Q9NP59 6/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
TDP1 Q9NUW8 5/20 0.52
POLB P06746 1/20 0.52
PIK3CG P48736 2/20 0.51
CXCR2 P25025 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
AGTR1 P30556 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLO1 Q04760 1/20 0.48
CXCR4 P61073 1/20 0.47

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
SCHEMBL2283949 0.88 PIK3CD (0.68) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL2276250 0.88 PIK3CD (0.68) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL2283412 0.87 MEN1 (0.61) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL2282913 0.87 MEN1 (0.61) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL2283565 0.87 PIK3CD (0.66) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL2278848 0.87 PIK3CD (0.66) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A
SCHEMBL3811843 0.84 SLC40A1 (0.74) PIK3CDSLC40A1MEN1KMT2ATDP1
SCHEMBL188664 0.82 SLC40A1 (0.62) PIK3CDPIK3C2BPIK3C2GSLC40A1MEN1
SCHEMBL13452220 0.80 SLC40A1 (0.60) PIK3CDSLC40A1MEN1KMT2ATDP1
SCHEMBL2282396 0.79 MEN1 (0.67) PIK3CDPIK3C2BPIK3C2GMEN1KMT2A

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 4/4885PIK3C2B 7/4885PIK3C2G 29/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885PIK3C2B 7/4885PIK3C2G 29/4885

“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.