SCHEMBL1886594

SCHEMBL1886594

CCn1nnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc([S+](C)[O-])n3)s2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.60
PIK3CG P48736 6/20 0.60
PIK3CA P42336 5/20 0.60
PIK3CB P42338 5/20 0.60
PI4KB Q9UBF8 5/20 0.60
CLK2 P49760 2/20 0.60
CLK1 P49759 1/20 0.60
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
DYRK1A Q13627 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ADORA2A P29274 5/20 0.34
ADORA1 P30542 4/20 0.33
LCK P06239 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KIFC1 Q9BW19 1/20 0.31
CFTR P13569 1/20 0.30

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
SCHEMBL1885353 0.85 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1885011 0.82 PIK3CG (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1889113 0.82 PIK3CA (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5803458 0.81 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1893256 0.77 PIK3CG (0.36) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1888590 0.76 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1881199 0.75 PRMT3 (0.36) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783626 0.75 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2360519 0.73 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1893823 0.72 PIK3CG (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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 PIK3CD 4/4885PIK3CG 10/4885PIK3CA 1/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CD 2/4885PIK3CG 8/4885PIK3CA 1/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CD 2/4885PIK3CG 8/4885PIK3CA 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.