SCHEMBL17203142

SCHEMBL17203142

Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.48
PIK3CD O00329 17/20 0.48
PIK3CB P42338 14/20 0.48
PIK3CA P42336 9/20 0.48
MTOR P42345 7/20 0.48
PIK3C3 Q8NEB9 2/20 0.48
PDE4D Q08499 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 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
SCHEMBL1368414 0.88 LMNA (0.46) PIK3CGPIK3CDPIK3CB
SCHEMBL17203294 0.86 PIK3CD (0.50) PIK3CGPIK3CDPIK3CBPIK3CAMTOR
SCHEMBL17203950 0.86 PIK3CG (0.51) PIK3CGPIK3CDPIK3CBPIK3CAMTOR
SCHEMBL17204003 0.84 KMT2A (0.51) PIK3CGPIK3CDPIK3CBPIK3CAMTOR
SCHEMBL19832788 0.84 LMNA (0.43)
SCHEMBL3417603 0.80 CA1 (0.52) IKBKBCHUK
SCHEMBL18429750 0.79 PIK3CD (0.50) PIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17203702 0.79 NPC1 (0.48) PIK3CGPIK3CDPIK3CBPIK3CAIKBKB
SCHEMBL13585634 0.79 ALDH1A1 (0.56) PIK3CGPIK3CDPIK3CBPIK3C3IKBKB
SCHEMBL17203592 0.78 ALDH1A1 (0.59) IKBKBCHUK

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 CN disclosed
EP-3134396-B1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-18 EP disclosed
EP-3134396-B1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-18 EP disclosed
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-08-30 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
EP-3134395-B1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2018-01-31 EP disclosed
US-9862711-B2 Pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-01-09 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-20170029414-A1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-02 US disclosed
US-20170029414-A1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-02 US disclosed
US-20170029414-A1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-02 US disclosed
WO-2015162459-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO disclosed
WO-2015162461-A1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO disclosed
WO-2015162456-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO 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 (6 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-20170029414-A1 PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PI4K2B, PIP5K1B PIK3CG 17/4885PIK3CD 13/4885PIK3CB 12/4885
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 PIK3CG 16/4885PIK3CD 15/4885PIK3CB 13/4885
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CD 15/4885PIK3CB 13/4885
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP4K2B, PHKG1 PIK3CG 16/4885PIK3CD 15/4885PIK3CB 13/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CD 15/4885PIK3CB 13/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B PIK3CG 18/4885PIK3CD 15/4885PIK3CB 13/4885

“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.