SCHEMBL1893280

SCHEMBL1893280

CNc1nccc(-c2sc(NC(C)=O)nc2C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.57
CDK4 P11802 5/20 0.57
CCNA2 P20248 3/20 0.57
PLK1 P53350 1/20 0.57
PIK3CG P48736 7/20 0.54
CDK9 P50750 5/20 0.54
CCNT1 O60563 2/20 0.54
AURKA O14965 3/20 0.53
CDK1 P06493 3/20 0.53
CDK7 P50613 3/20 0.53
AURKB Q96GD4 3/20 0.53
WEE1 P30291 1/20 0.53
ALK Q9UM73 1/20 0.53
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PI4KB Q9UBF8 1/20 0.51

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
SCHEMBL1890923 0.92 PIK3CG (0.60) CDK2CDK4CCNA2PLK1PIK3CG
SCHEMBL30199424 0.89 CDK2 (0.56) CDK2CDK4CCNA2PLK1PIK3CG
SCHEMBL1889193 0.85 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL2285606 0.84 CDK2 (0.67) CDK2CDK4CCNA2PLK1PIK3CG
SCHEMBL23068648 0.83 CDK2 (0.55) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL6363136 0.83 CDK2 (0.76) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL22684851 0.83 CDK2 (0.56) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL1887212 0.82 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL23068667 0.82 CDK2 (0.55) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL23068687 0.82 SMN1; SMN2 (0.59) CDK2CDK4CCNA2PLK1CDK9

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 CDK2 131/4885CDK4 454/4885CCNA2 891/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK4 443/4885CCNA2 886/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK4 443/4885CCNA2 886/4885

“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.