SCHEMBL3406895

SCHEMBL3406895

COCCNS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)c3ccc(F)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
GSK3B P49841 2/20 0.53
PIK3CD O00329 8/20 0.51
PIK3CA P42336 8/20 0.51
PIK3CG P48736 8/20 0.51
PIK3CB P42338 6/20 0.51
ATR Q13535 7/20 0.48
PRKDC P78527 2/20 0.48
ATM Q13315 1/20 0.48
TYRO3 Q06418 2/20 0.44
PHGDH O43175 1/20 0.42

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
SCHEMBL14981191 0.89 PIK3CD (0.50) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3409202 0.87 CCNE2 (0.63) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3402700 0.84 GSK3B (0.59) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3409781 0.82 GSK3B (0.55) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3402706 0.82 GSK3B (0.55) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL14981188 0.81 GSK3B (0.53) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL14981189 0.77 PIK3CD (0.56) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL11992020 0.74 CCNE2 (0.51) CCNE2CCNE1CDK2GSK3BPIK3CA
SCHEMBL3409068 0.73 PIK3CD (0.70) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3410562 0.73 CCNE2 (0.56) CCNE2CCNE1CDK2GSK3BPIK3CD

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 CCNE2 2451/4885CCNE1 2616/4885CDK2 3662/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 CCNE2 2451/4885CCNE1 2616/4885CDK2 3662/4885

“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.