SCHEMBL3408495

SCHEMBL3408495

Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)nc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.58
PIK3CA P42336 5/20 0.58
PIK3CG P48736 5/20 0.58
PIK3CB P42338 4/20 0.58
ATR Q13535 9/20 0.55
PRKDC P78527 1/20 0.55
ATM Q13315 1/20 0.55
PIK3R2 O00459 1/20 0.53
PIK3R1 P27986 1/20 0.53
PIK3R3 Q92569 1/20 0.53
TYRO3 Q06418 2/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3407680 0.90 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL14981209 0.90 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL11969494 0.88 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3410377 0.83 ALDH1A1 (0.51) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL15308593 0.81 BRD4 (0.58) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL17657923 0.81 BRD4 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL3404037 0.79 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL5684569 0.78 ATR (0.63) ATRPRKDCATM
SCHEMBL17718280 0.78 BRD4 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL14981191 0.76 PIK3CD (0.50) PIK3CDPIK3CAPIK3CGPIK3CBATR

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 PIK3CD 4406/4885PIK3CA 3283/4885PIK3CG 4123/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PIK3CD 4406/4885PIK3CA 3283/4885PIK3CG 4123/4885

“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.