SCHEMBL182897

SCHEMBL182897

COc1ccc(-c2nc(N)nc3ccc(-c4ccc(O)cc4)cc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.48
DHFR P00374 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
KDR P35968 1/20 0.46
JAK3 P52333 1/20 0.46
AURKB Q96GD4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 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
SCHEMBL182850 0.92 DHFR (0.53) ADORA1DHFRL3MBTL1PIK3CDPIK3CA
SCHEMBL183072 0.89 FYN (0.54) ADORA1DHFRL3MBTL1ABCG2PIK3CD
SCHEMBL183022 0.86 SQSTM1 (0.48) ADORA1DHFRL3MBTL1PIK3CDPIK3CA
SCHEMBL182874 0.85 PDGFRB (0.48) ADORA1DHFRL3MBTL1PIK3CDPIK3CA
SCHEMBL182575 0.85 ADORA1 (0.52) ADORA1DHFRL3MBTL1PIK3CDPIK3CA
SCHEMBL183029 0.83 PIK3CA (0.51) ADORA1DHFRL3MBTL1PIK3CDPIK3CA
SCHEMBL182822 0.83 CHEK2 (0.53) ADORA1DHFRL3MBTL1PIK3CAKDM4E
SCHEMBL1547612 0.83 PDE4A (0.55) ADORA1DHFRESR1ESR2JAK2
SCHEMBL29470281 0.83 PDE4A (0.55) ADORA1DHFRESR1ESR2JAK2
SCHEMBL3336793 0.83 DHFR (0.52) ADORA1DHFRESR1ESR2L3MBTL1

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 7 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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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 ADORA1 1951/4885DHFR 2494/4885ESR1 3205/4885

“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.