SCHEMBL182850

SCHEMBL182850

COc1ccc(-c2ccc3nc(N)nc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ADORA1 P30542 1/20 0.51
ADORA2A P29274 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
MTOR P42345 1/20 0.50
PIK3CG P48736 1/20 0.50
HSP90AB1 P08238 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE10A Q9Y233 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
ACACA Q13085 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL183022 0.93 SQSTM1 (0.48) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL182897 0.92 ADORA1 (0.48) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL182874 0.92 PDGFRB (0.48) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL182575 0.92 ADORA1 (0.52) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL183029 0.90 PIK3CA (0.51) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL183015 0.89 L3MBTL1 (0.51) DHFRL3MBTL1ADORA1ADORA2AHSP90AB1
SCHEMBL1879036 0.89 HSP90AB1 (0.65) DHFRL3MBTL1ADORA1ADORA2AHSP90AB1
SCHEMBL182901 0.89 PIK3CA (0.51) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL183072 0.89 FYN (0.54) DHFRL3MBTL1ADORA1ADORA2APIK3CD
SCHEMBL182822 0.87 CHEK2 (0.53) DHFRL3MBTL1ADORA1ADORA2APIK3CA

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 2494/4885L3MBTL1 4164/4885ADORA1 1951/4885

“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.