SCHEMBL3404037

SCHEMBL3404037

Nc1ncc(-c2cccc(S(=O)(=O)NCC3CC3)c2)nc1C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.53
ATR Q13535 4/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNE2 O96020 3/20 0.47
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
GSK3B P49841 3/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CG P48736 4/20 0.47
PIK3CB P42338 3/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
TYRO3 Q06418 2/20 0.45
PRKDC P78527 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3407680 0.88 PIK3CD (0.57) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL14981189 0.88 PIK3CD (0.56) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL11969494 0.86 PIK3CD (0.55) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3409202 0.84 CCNE2 (0.63) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3407992 0.82 GSK3B (0.57) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3430137 0.81 ATR (0.61) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3409526 0.81 PIK3CD (0.47) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3408495 0.79 PIK3CD (0.58) PIK3CDATRPIK3CAPIK3CGPIK3CB
SCHEMBL3409495 0.79 GSK3B (0.63) PIK3CDATRCDK5CDK5R1CCNE2
SCHEMBL3409739 0.79 PIK3CD (0.54) PIK3CDATRCDK5CDK5R1CCNE2

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 4406/4885ATR 4183/4885CDK5 4241/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PIK3CD 4406/4885ATR 4183/4885CDK5 4241/4885

“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.