SCHEMBL182722

SCHEMBL182722

COc1ccc(-c2ncnc3ccc(-c4ccc(NCCO)nc4)cc23)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.58
PIK3CA P42336 3/20 0.58
PIK3CB P42338 3/20 0.58
PIK3CG P48736 3/20 0.58
MTOR P42345 1/20 0.58
ENPP1 P22413 2/20 0.55
GAK O14976 1/20 0.49
CLK4 Q9HAZ1 2/20 0.48
KCNH2 Q12809 1/20 0.47
MELK Q14680 1/20 0.44
FYN P06241 3/20 0.44
KIT P10721 2/20 0.42
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
MAPK1 P28482 2/20 0.41
YES1 P07947 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
AURKB Q96GD4 1/20 0.41
CD38 P28907 1/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL183107 0.90 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182825 0.86 PIK3CA (0.65) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182926 0.86 PIK3CA (0.58) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182771 0.81 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182967 0.79 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182818 0.78 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182824 0.78 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182889 0.77 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183550 0.77 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182593 0.77 PIK3CD (0.64) 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 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 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.