SCHEMBL3404697

SCHEMBL3404697

Nc1ncc(-c2ccc(Cl)c(S(=O)(=O)NC3CCC(O)CC3)c2)nc1C(=O)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.72
PIK3CA P42336 14/20 0.51
PIK3CB P42338 14/20 0.51
PIK3CG P48736 14/20 0.51
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
PIK3R2 O00459 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3R3 Q92569 1/20 0.47
EGFR P00533 1/20 0.46
RAF1 P04049 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
MTOR P42345 1/20 0.46
MAP2K1 Q02750 1/20 0.46
KCNH2 Q12809 1/20 0.46
ATR Q13535 1/20 0.46

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
SCHEMBL11992024 1.00 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL11969468 0.97 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL21369133 0.94 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL3408387 0.84 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL3407680 0.83 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL11992031 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL12342748 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL3411911 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL14981242 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL11969494 0.81 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCDK5

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 11 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
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-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

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.