SCHEMBL1887834

SCHEMBL1887834

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(NCCN(CC)CC)n3)s2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.35
NR4A1 P22736 1/20 0.34
FGFR1 P11362 1/20 0.34
CCNB2 O95067 2/20 0.34
CCNE2 O96020 2/20 0.34
CDK1 P06493 2/20 0.34
CDK4 P11802 2/20 0.34
CCNB1 P14635 2/20 0.34
CCND1 P24385 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
PIK3CA P42336 6/20 0.34
PIK3CD O00329 5/20 0.34
PIK3CB P42338 5/20 0.34
PI4KB Q9UBF8 3/20 0.34
CLK2 P49760 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL1888621 0.90 PIK3CG (0.34) PIK3CGCCNB2CCNE2CDK1CDK4
SCHEMBL1882772 0.87 PIK3CG (0.34) PIK3CGNR4A1CCNB2CCNE2CDK1
SCHEMBL1890711 0.85 PIK3CG (0.40) PIK3CGCCNB2CCNE2CDK1CDK4
SCHEMBL1886261 0.84 PIK3CG (0.48) PIK3CGCDK4CDK2CLK1DYRK1A
SCHEMBL1885405 0.84 ALOX15 (0.37) KDM4E
SCHEMBL1888493 0.84 PIK3CG (0.38) PIK3CGCCNB2CCNE2CDK1CDK4
SCHEMBL1892220 0.84 FGFR1 (0.38) PIK3CGFGFR1
SCHEMBL27656640 0.84 PIK3CG (0.36) PIK3CGCCNB2CCNE2CDK1CDK4
SCHEMBL1886404 0.83 PIK3CG (0.35) PIK3CGCCNB2CCNE2CDK1CDK4
SCHEMBL1883366 0.83 PIK3CG (0.41) PIK3CGCCNB2CCNE2CDK1CDK4

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 10/4885NR4A1 3149/4885FGFR1 549/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885NR4A1 3104/4885FGFR1 577/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885NR4A1 3104/4885FGFR1 577/4885

“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.