SCHEMBL182740

SCHEMBL182740

COc1ccc(-c2ncnc3ccc(-c4ccc(OC)nc4)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.56
PIK3CD O00329 11/20 0.54
PIK3CA P42336 9/20 0.54
PIK3CB P42338 8/20 0.54
PIK3CG P48736 7/20 0.54
KCNH2 Q12809 2/20 0.54
RCE1 Q9Y256 1/20 0.50
MTOR P42345 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
PDE1B Q01064 1/20 0.45
PIP5K1C O60331 1/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL182805 0.92 PIK3CD (0.58) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL182718 0.90 PIK3CD (0.61) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL182967 0.85 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182914 0.83 MKNK1 (0.64) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182713 0.83 PIK3CA (0.66) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182397 0.81 PIK3CD (0.63) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30631164 0.81 PIK3CA (0.52) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL183026 0.80 PIK3CD (0.62) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL182963 0.80 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182746 0.80 PIK3CD (0.48) MAP4K4PIK3CDPIK3CAPIK3CBPIK3CG

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 5 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
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
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP 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 MAP4K4 74/4885PIK3CD 6/4885PIK3CA 3/4885

“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.