SCHEMBL3432453

SCHEMBL3432453

CC(C)N1CCN(S(=O)(=O)c2cc(-c3cnc(N)c(C(=O)c4ccc(Cl)cc4)n3)ccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.51
PIK3CA P42336 15/20 0.51
PIK3CB P42338 15/20 0.51
PIK3CG P48736 15/20 0.51
ACVR1 Q04771 2/20 0.45
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
GSK3B P49841 2/20 0.43
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
MTOR P42345 1/20 0.41
MAP2K1 Q02750 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3409554 0.90 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCCNE2
SCHEMBL3410522 0.79 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGCCNE2
SCHEMBL3409769 0.77 GSK3B (0.63) PIK3CDPIK3CAPIK3CBPIK3CGCCNE2
SCHEMBL3405311 0.75 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGCCNE2
SCHEMBL3647003 0.73 DHFR (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13707809 0.70 ALDH1A1 (0.38)
SCHEMBL3411077 0.69 MAPK1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCCNE2
SCHEMBL3410544 0.68 ACVR1 (0.52) ACVR1
SCHEMBL3408055 0.68 GSK3B (0.59) PIK3CDCCNE2CCNE1CDK2GSK3B
SCHEMBL11992016 0.66 LMNA (0.55) PIK3CDPIK3CAPIK3CGCCNE2CCNE1

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
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
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 4406/4885PIK3CA 3283/4885PIK3CB 4258/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PIK3CD 4406/4885PIK3CA 3283/4885PIK3CB 4258/4885

“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.