SCHEMBL1886261

SCHEMBL1886261

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(NCCN4CCOCC4)n3)s2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.48
ABL1 P00519 3/20 0.41
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.36
MET P08581 4/20 0.36
CYP3A4 P08684 3/20 0.36
DYRK1A Q13627 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
AURKA O14965 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPK13 O15264 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1892220 0.89 FGFR1 (0.38) PIK3CGKMT2A
SCHEMBL1889860 0.88 PIK3CG (0.42) PIK3CGABL1NPC1ALDH1A1TSHR
SCHEMBL1884661 0.87 PIK3CG (0.41) PIK3CGABL1NPC1ALDH1A1TSHR
SCHEMBL1887834 0.84 PIK3CG (0.35) PIK3CGCLK1DYRK1ACDK4CDK2
SCHEMBL1888621 0.84 PIK3CG (0.34) PIK3CGABL1CLK1CDK4CDK2
SCHEMBL1885405 0.82 ALOX15 (0.37) ALDH1A1MAPK1CYP3A4LMNASMN1; SMN2
SCHEMBL1890711 0.82 PIK3CG (0.40) PIK3CGNPC1CLK1RAB9ACDK4
SCHEMBL1886404 0.81 PIK3CG (0.35) PIK3CGCLK1MAPK1CDK4CDK2
SCHEMBL27656640 0.81 PIK3CG (0.36) PIK3CGALDH1A1CLK1CDK4CDK2
SCHEMBL1883372 0.80 PIK3CG (0.40) PIK3CGCLK1CDK4CDK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 10/4885ABL1 230/4885NPC1 1629/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885ABL1 221/4885NPC1 1578/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885ABL1 221/4885NPC1 1578/4885

“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.