SCHEMBL3337376

SCHEMBL3337376

COCCOc1nc(N)nc2ccc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.46
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
APP P05067 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PDE10A Q9Y233 1/20 0.41
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
RECQL P46063 1/20 0.40
MTOR P42345 1/20 0.39
KIT P10721 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL3334911 0.90 DHFR (0.46) DHFRADORA1L3MBTL1PDGFRBPDGFRA
SCHEMBL3336844 0.89 GAK (0.47) DHFRADORA1L3MBTL1PDGFRBPDGFRA
SCHEMBL3337794 0.88 DHFR (0.48) DHFRADORA1L3MBTL1PDGFRBPDGFRA
SCHEMBL3337841 0.86 DHFR (0.44) DHFRHSD17B10PIK3CDPIK3CAPIK3CB
SCHEMBL3336355 0.86 DHFR (0.53) DHFRADORA1L3MBTL1PDGFRBPDGFRA
SCHEMBL3333821 0.85 HSP90AB1 (0.47) DHFRADORA1PDGFRBPDGFRAAPP
SCHEMBL3336135 0.84 SQOR (0.46) DHFRPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL3340872 0.84 PIK3CA (0.40) DHFRPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL3341739 0.83 DHFR (0.45) DHFRADORA1L3MBTL1PDGFRBPDGFRA
SCHEMBL3336772 0.83 ADORA1 (0.48) DHFRADORA1L3MBTL1PDGFRBPDGFRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 DHFR 703/4885ADORA1 870/4885L3MBTL1 3418/4885

“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.