SCHEMBL188522

SCHEMBL188522

COC(=O)c1ccc(-c2ccc3nc(N)nc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
KMT2A Q03164 2/20 0.47
DHFR P00374 2/20 0.43
NEK2 P51955 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
PLA2G2A P14555 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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 0.87 DHFR (0.53) KMT2ADHFRL3MBTL1HSD17B10ADORA1
SCHEMBL1883143 0.86 MAPT (0.51) DHODHKMT2ADHFRL3MBTL1MAPT
SCHEMBL182822 0.83 CHEK2 (0.53) KMT2ADHFRL3MBTL1MAPTALDH1A1
SCHEMBL182897 0.82 ADORA1 (0.48) DHFRL3MBTL1MAPTHSD17B10ALDH1A1
SCHEMBL182683 0.82 PIK3CD (0.58) DHODHKMT2AHSD17B10ALDH1A1PIK3CD
SCHEMBL182693 0.82 PIK3CD (0.58) DHODHKMT2AHSD17B10ALDH1A1PIK3CD
SCHEMBL12639862 0.81 HSP90AB1 (0.58) DHODHKMT2AMAPTPLA2G2AMEN1
SCHEMBL183022 0.81 SQSTM1 (0.48) KMT2ADHFRL3MBTL1MAPK1HSD17B10
SCHEMBL327482 0.81 ADORA1 (0.45) DHODHKMT2ADHFRNEK2L3MBTL1
SCHEMBL182874 0.80 PDGFRB (0.48) KMT2ADHFRL3MBTL1HSD17B10ALDH1A1

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 DHODH 2388/4885KMT2A 1748/4885DHFR 2494/4885

“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.