SCHEMBL183022

SCHEMBL183022

COc1ccc(-c2nc(N)nc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQSTM1 Q13501 1/20 0.48
DHFR P00374 4/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
HSP90AB1 P08238 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIT P10721 1/20 0.44
TUBB4A P04350 1/20 0.43

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
SCHEMBL182575 0.96 ADORA1 (0.52) SQSTM1DHFRADORA2AADORA1L3MBTL1
SCHEMBL182850 0.93 DHFR (0.53) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL182874 0.86 PDGFRB (0.48) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL182897 0.86 ADORA1 (0.48) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL183029 0.84 PIK3CA (0.51) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL183015 0.83 L3MBTL1 (0.51) DHFRADORA2AADORA1L3MBTL1HSP90AB1
SCHEMBL1879036 0.83 HSP90AB1 (0.65) DHFRADORA2AADORA1L3MBTL1HSP90AB1
SCHEMBL182901 0.83 PIK3CA (0.51) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL183072 0.83 FYN (0.54) DHFRADORA2AADORA1L3MBTL1PIK3CD
SCHEMBL182810 0.81 PIK3CA (0.49) DHFRADORA2AADORA1L3MBTL1PIK3CD

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 SQSTM1 508/4885DHFR 2494/4885ADORA2A 1891/4885

“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.