SCHEMBL182833

SCHEMBL182833

COc1ccc(-c2ccc3nc(N)nc(C4=COC=C(C5=CC=CCC5)O4)c3c2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
MTOR P42345 1/20 0.35
ADORA1 P30542 2/20 0.35
SPIN1 Q9Y657 1/20 0.33
PDE10A Q9Y233 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 2/20 0.31
APP P05067 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL183205 0.94 DHFR (0.37) DHFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL182571 0.86 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182855 0.82 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3587025 0.77
SCHEMBL1168498 0.75 KDM4E (0.32) L3MBTL1PDE4DKDM4EHSD17B10NPC1
SCHEMBL617799 0.74 PDE4A (0.31) L3MBTL1PDE4DNPC1
SCHEMBL182850 0.73 DHFR (0.53) DHFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1168014 0.73 NPC1 (0.32) L3MBTL1KDM4EHSD17B10NPC1ALDH1A1
SCHEMBL617789 0.72 PTGS2 (0.34)
SCHEMBL3590110 0.71 MEN1 (0.30)

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 DHFR 2494/4885PIK3CD 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.