SCHEMBL189918

SCHEMBL189918

CN(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.61
BACE1 P56817 1/20 0.55
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
MAPT P10636 9/20 0.54
POLB P06746 1/20 0.54
GFER P55789 1/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 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
SCHEMBL12364316 0.93 PIK3CG (0.66) PIK3CGMAPTPOLBGFERKDM4E
SCHEMBL189222 0.93 PIK3CG (0.61) PIK3CGCDC25ACDC25BMAPTPOLB
SCHEMBL189772 0.91 PIK3CG (0.61) PIK3CGMAPTPOLBGFERKDM4E
SCHEMBL189527 0.89 PIK3CG (0.73) PIK3CGMAPTPOLBGFERMEN1
SCHEMBL189812 0.89 PIK3CG (0.63) PIK3CGMAPTPOLBGFERKDM4E
SCHEMBL190274 0.88 PIK3CG (0.58) PIK3CGCDC25ACDC25BMAPTPOLB
SCHEMBL189790 0.88 PIK3CG (0.59) PIK3CGMAPTPOLBKDM4EMEN1
SCHEMBL189356 0.87 PIK3CG (0.61) PIK3CGMAPTPOLBGFERKDM4E
SCHEMBL16091811 0.86 PIK3CG (0.62) PIK3CGMAPTPOLBGFERKDM4E
SCHEMBL188330 0.85 PIK3CG (0.71) PIK3CGMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP disclosed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US disclosed
US-7989622-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2011-08-02 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US disclosed
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
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 (6 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 PIK3CG 3/4885BACE1 2478/4885CDC25A 447/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885BACE1 3793/4885CDC25A 193/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CG 3/4885BACE1 2478/4885CDC25A 447/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885BACE1 3793/4885CDC25A 193/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 6/4885BACE1 3507/4885CDC25A 153/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K PIK3CG 370/4885BACE1 3003/4885CDC25A 262/4885

“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.