SCHEMBL3409526

SCHEMBL3409526

Nc1ncc(-c2cc(S(=O)(=O)NCC3CC3)c(F)cc2F)nc1C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
ALOX5AP P20292 5/20 0.45
FEN1 P39748 5/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
ATR Q13535 3/20 0.38
CCNT1 O60563 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL11992025 0.88 PIK3CD (0.50) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL12342748 0.85 PIK3CD (0.49) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL11992031 0.85 PIK3CD (0.49) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL3411911 0.85 PIK3CD (0.49) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL14981242 0.85 PIK3CD (0.49) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL3410302 0.85 CCNE2 (0.53) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL3404037 0.81 PIK3CD (0.53) PIK3CDCDK5CDK5R1CCNE2CCNE1
SCHEMBL3405843 0.78 GSK3B (0.50) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL3404644 0.78 GSK3B (0.60) PIK3CDALOX5APFEN1CDK5CDK5R1
SCHEMBL14981186 0.73 CDK5 (0.55) PIK3CDCDK5CDK5R1CCNE2CCNE1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US claimed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP claimed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO claimed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US claimed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US 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 (2 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 PIK3CD 4406/4885ALOX5AP 365/4885FEN1 4573/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PIK3CD 4406/4885ALOX5AP 365/4885FEN1 4573/4885

“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.