SCHEMBL189790

SCHEMBL189790

CN(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.59
RXFP1 Q9HBX9 7/20 0.56
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PRKDC P78527 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL16091811 0.89 PIK3CG (0.62) PIK3CGKDM4EMEN1KMT2AALDH1A1
SCHEMBL12387651 0.89 PIK3CG (0.60) PIK3CGKDM4EMEN1KMT2AALDH1A1
SCHEMBL3625455 0.89 RXFP1 (0.72) PIK3CGRXFP1KDM4ENPSR1MEN1
SCHEMBL12364316 0.88 PIK3CG (0.66) PIK3CGKDM4ENPSR1MEN1KMT2A
SCHEMBL189222 0.88 PIK3CG (0.61) PIK3CGKDM4ENPSR1MEN1KMT2A
SCHEMBL189918 0.88 PIK3CG (0.61) PIK3CGKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL189812 0.85 PIK3CG (0.63) PIK3CGKDM4ENPSR1MEN1KMT2A
SCHEMBL189686 0.84 PIK3CG (0.61) PIK3CGKDM4EMEN1KMT2APOLB
SCHEMBL189772 0.84 PIK3CG (0.61) PIK3CGKDM4EMEN1KMT2AALDH1A1
SCHEMBL189356 0.84 PIK3CG (0.61) PIK3CGKDM4ENPSR1MEN1KMT2A

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies EXELIXIS, INC. (US) 2019-06-25 US disclosed
US-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies EXELIXIS, INC. (US) 2019-06-25 US disclosed
EP-2773353-B1 N-(3-{[(3-{[2-CHLORO-5-(METHOXY)PHENYL]AMINO}QUINOXALIN-2-YL)AMINO]SULFONYL}PHENYL)-2-METHYLALANINAMIDE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR FOR THE TREATMENT OF LYMPHOPROLIFERATIVE MALIGNANCIES EXELIXIS INC (US) 2018-09-05 EP disclosed
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies EXELIXIS, INC. 2017-10-19 US disclosed
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies EXELIXIS, INC. 2017-10-19 US disclosed
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies EXELIXIS, INC. 2017-10-19 US disclosed
EP-2590654-B1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2016-12-21 EP disclosed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP disclosed
CN-101528231-A Use of PI3K and MEK modulators in the treatment of cancer EXELIXIS INC (US) 2009-09-09 CN disclosed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
CN-101282948-A N- (3-amino-quinoxalin-2-yl) -sulfonamide derivatives and their use as phosphatidylinositol 3-kinase inhibitors EXELIXIS INC (US) 2008-10-08 CN disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO 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-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CG 15/4885RXFP1 4841/4885KDM4E 2623/4885
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CG 15/4885RXFP1 4841/4885KDM4E 2623/4885

“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.