SCHEMBL3411077

SCHEMBL3411077

Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N)c(C(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
CCNE2 O96020 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
GSK3B P49841 2/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL3407260 0.91 CCNE2 (0.49) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3409731 0.88 CCNE2 (0.46) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3407079 0.86 GSK3B (0.56) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3407270 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3411396 0.83 PIK3CD (0.62) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3407112 0.81 CCNE2 (0.46) MAPK1CCNE2CCNE1CDK2GSK3B
SCHEMBL3407109 0.80 GSK3B (0.53) CCNE2CCNE1CDK2GSK3BPIK3CD
SCHEMBL3405978 0.76 GAA (0.45) ATMALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3408346 0.76 GSK3B (0.50) CCNE2CCNE1CDK2GSK3BMEN1
SCHEMBL11992032 0.76 GSK3B (0.50) CCNE2CCNE1CDK2GSK3BMEN1

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 MAPK1 2307/4885CCNE2 2451/4885CCNE1 2616/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 MAPK1 2307/4885CCNE2 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.