SCHEMBL1890923

SCHEMBL1890923

CC(=O)Nc1nccc(-c2sc(NC(C)=O)nc2C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.60
PIK3CD O00329 4/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 4/20 0.54
CDK4 P11802 2/20 0.53
CDK2 P24941 2/20 0.53
AURKA O14965 1/20 0.53
CDK1 P06493 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
AURKB Q96GD4 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
CCNA2 P20248 1/20 0.53
PLK1 P53350 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL1893280 0.92 CDK2 (0.57) PIK3CGPIK3CDPIK3CAPIK3CBCDK4
SCHEMBL1889193 0.88 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL2285606 0.87 CDK2 (0.67) PIK3CGPIK3CACDK4CDK2AURKA
SCHEMBL6363136 0.86 CDK2 (0.76) CDK4CDK2AURKACDK1CDK7
SCHEMBL1886169 0.85 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL1887916 0.85 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL1887212 0.84 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL24885824 0.84 ABL1 (0.53) PIK3CGCDK4CDK2AURKACDK1
SCHEMBL1886431 0.83 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL1885497 0.83 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
CN-1816549-B Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG 2010-09-29 CN disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
CN-101648949-A inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG CH 2010-02-17 CN disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
CN-1816549-A Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2006-08-09 CN disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 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 (3 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B PIK3CG 10/4885PIK3CD 4/4885PIK3CA 1/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CD 2/4885PIK3CA 1/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CD 2/4885PIK3CA 1/4885

“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.