SCHEMBL3410522

SCHEMBL3410522

CN1CCN(S(=O)(=O)c2cc(-c3cnc(N)c(C(=O)c4cccnc4)n3)ccc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.66
GSK3B P49841 14/20 0.61
CCNE2 O96020 11/20 0.61
CCNE1 P24864 11/20 0.61
CDK2 P24941 11/20 0.61
GSK3A P49840 1/20 0.57
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49

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
SCHEMBL3405311 0.90 PIK3CD (0.66) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3408055 0.89 GSK3B (0.59) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3409554 0.88 PIK3CD (0.53) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3409524 0.86 GSK3B (0.75) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3431749 0.83 GSK3B (0.70) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3404644 0.82 GSK3B (0.60) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL11969468 0.81 PIK3CD (0.75) PIK3CDCDK5CDK5R1PIK3CAPIK3CB
SCHEMBL3411415 0.81 PIK3CD (0.68) PIK3CDCDK5CDK5R1PIK3CAPIK3CB
SCHEMBL11992016 0.80 LMNA (0.55) PIK3CDGSK3BCCNE2CCNE1CDK2
SCHEMBL3410536 0.80 GSK3B (0.58) PIK3CDGSK3BCCNE2CCNE1CDK2

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 20 patents. 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
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
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 4406/4885GSK3B 3129/4885CCNE2 2451/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PIK3CD 4406/4885GSK3B 3129/4885CCNE2 2451/4885

“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.