SCHEMBL182675

SCHEMBL182675

COc1ccc(-c2ccc3ncnc(-c4ccc(N5CCN(S(C)(=O)=O)CC5)nc4)c3c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.52
PIK3CA P42336 5/20 0.52
PIK3CB P42338 5/20 0.52
PIK3CG P48736 5/20 0.52
MTOR P42345 1/20 0.52
KCNH2 Q12809 1/20 0.49
LRRK2 Q5S007 1/20 0.46
MAP4K1 Q92918 3/20 0.45
IL2 P60568 2/20 0.45
TLR8 Q9NR97 6/20 0.45
TLR7 Q9NYK1 5/20 0.45
TLR9 Q9NR96 4/20 0.45
KIT P10721 2/20 0.44
ENPP1 P22413 1/20 0.43
GAK O14976 1/20 0.43
KDR P35968 1/20 0.42
ETV6 P41212 1/20 0.42

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
SCHEMBL182858 0.85 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182583 0.84 GAK (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182950 0.84 MAP4K1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28776662 0.83 TLR8 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28776661 0.83 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182816 0.82 MAP4K1 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182904 0.81 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL27767855 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL324652 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
Tert-Butyl Formate SCHEMBL27767858 0.79 MAP4K1 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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 (1 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA PIK3CD 6/4885PIK3CA 3/4885PIK3CB 12/4885

“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.