SCHEMBL1885504

SCHEMBL1885504

CCCn1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(C)CCN(C)C)n3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.45
PIK3CA P42336 9/20 0.45
PRKDC P78527 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
NTRK1 P04629 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PIK3CD O00329 3/20 0.33
PIK3CB P42338 2/20 0.33
CLK2 P49760 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
JAK2 O60674 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
DYRK1A Q13627 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LCK P06239 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
SCHEMBL1883557 0.94 PIK3CG (0.44) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1881946 0.87 PIK3CG (0.44) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1882907 0.86 PIK3CG (0.50) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1886454 0.84 PIK3CA (0.52) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1892522 0.80 PIK3CG (0.49) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1884087 0.79 PIK3CA (0.39) PIK3CGPIK3CAHCRTR1HCRTR2PIK3CD
SCHEMBL1889113 0.79 PIK3CA (0.56) PIK3CGPIK3CAHCRTR1HCRTR2PIK3CD
SCHEMBL1880326 0.77 PIK3CA (0.42) PIK3CGPIK3CAHCRTR1HCRTR2PIK3CD
SCHEMBL12991524 0.76 PIK3CG (0.57) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL1885011 0.76 PIK3CG (0.46) PIK3CGPIK3CAPRKDCCYP2C9KCNH2

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 9 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
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP 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
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 10/4885PIK3CA 1/4885PRKDC 133/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CA 1/4885PRKDC 125/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CA 1/4885PRKDC 125/4885

“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.