SCHEMBL3409769

SCHEMBL3409769

CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)c4ccc(Cl)cc4)n3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.63
CCNE2 O96020 11/20 0.63
CCNE1 P24864 11/20 0.63
CDK2 P24941 11/20 0.63
GSK3A P49840 1/20 0.51
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
PIK3CD O00329 3/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
ATR Q13535 2/20 0.47
PRKDC P78527 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3409524 0.87 GSK3B (0.75) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3409554 0.86 PIK3CD (0.53) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3431749 0.84 GSK3B (0.70) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL11992020 0.80 CCNE2 (0.51) GSK3BCCNE2CCNE1CDK2LMNA
SCHEMBL3409495 0.78 GSK3B (0.63) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3432453 0.77 PIK3CD (0.51) GSK3BCCNE2CCNE1CDK2PIK3CD
Hydrochloric Acid SCHEMBL6034835 0.77 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3411412 0.77 GSK3B (0.61) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3410522 0.77 PIK3CD (0.66) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3405258 0.76 GSK3B (0.61) GSK3BCCNE2CCNE1CDK2GSK3A

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 GSK3B 3129/4885CCNE2 2451/4885CCNE1 2616/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 GSK3B 3129/4885CCNE2 2451/4885CCNE1 2616/4885

“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.