SCHEMBL1886754

SCHEMBL1886754

CNC(=O)Nc1nc(C)c(-c2ccncc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.53
PIK3CD O00329 6/20 0.53
PIK3CA P42336 6/20 0.53
PIK3CB P42338 6/20 0.53
XIAP P98170 1/20 0.50
LCK P06239 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
MCL1 Q07820 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA2B P29275 2/20 0.44
CHRM5 P08912 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL10670937 0.85 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL27656677 0.85 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12992154 0.84 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12991289 0.83 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12992057 0.81 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12991982 0.81 XIAP (0.49) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12992306 0.81 ROCK2 (0.56) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL3842187 0.81 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12991903 0.80 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL924920 0.80 ALDH1A1 (0.51) PIK3CGPIK3CDPIK3CAPIK3CBXIAP

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.