SCHEMBL1892291

SCHEMBL1892291

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccnc(N4CCOCC4)n3)s2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.43
CDK9 P50750 6/20 0.43
CDK4 P11802 6/20 0.43
AURKA O14965 5/20 0.43
AURKB Q96GD4 5/20 0.43
PIK3CG P48736 5/20 0.42
CDK1 P06493 3/20 0.41
CCNA2 P20248 4/20 0.40
CCNT1 O60563 3/20 0.40
CDK6 Q00534 3/20 0.39
CCND1 P24385 2/20 0.39
CCND3 P30281 2/20 0.39
PIK3CA P42336 3/20 0.39
CDK7 P50613 2/20 0.38
CCNB1 P14635 1/20 0.38
CCNH P51946 1/20 0.38
CLK1 P49759 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1886455 0.83 PIK3CG (0.40) CDK2CDK9CDK4AURKAAURKB
SCHEMBL1887132 0.83 PIK3CG (0.46) CDK2CDK9CDK4AURKAAURKB
SCHEMBL1885039 0.80 PIK3CA (0.49) CDK2CDK9CDK4AURKAAURKB
SCHEMBL1886261 0.79 PIK3CG (0.48) CDK2CDK9CDK4AURKAAURKB
SCHEMBL1885418 0.78 PIK3CG (0.44) CDK2CDK4PIK3CGCDK1CCND1
SCHEMBL1889860 0.78 PIK3CG (0.42) PIK3CGPIK3CACLK1ALDH1A1NPC1
SCHEMBL1891561 0.78 PIK3CG (0.64) CDK2CDK9CDK4AURKAAURKB
SCHEMBL1884661 0.77 PIK3CG (0.41) PIK3CGPIK3CACLK1ALDH1A1NPC1
SCHEMBL1890711 0.77 PIK3CG (0.40) CDK2CDK4PIK3CGCDK1CCND1
SCHEMBL1891980 0.77 PIK3CG (0.41) PIK3CGPIK3CACLK1MAP4K4CLK2

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 CDK2 131/4885CDK9 327/4885CDK4 454/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK9 320/4885CDK4 443/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK9 320/4885CDK4 443/4885

“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.