SCHEMBL3337018

SCHEMBL3337018

COc1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
TRIM58 Q8NG06 1/20 0.47
SYK P43405 6/20 0.45
DHFR P00374 2/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 1/20 0.43
ADORA1 P30542 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
GAK O14976 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL3337794 0.84 DHFR (0.48) PIK3CDPIK3CAPIK3CBPIK3CGDHFR
SCHEMBL3336355 0.83 DHFR (0.53) PIK3CDPIK3CAPIK3CBPIK3CGDHFR
SCHEMBL3334911 0.82 DHFR (0.46) PIK3CDPIK3CAPIK3CBPIK3CGDHFR
SCHEMBL3337376 0.82 DHFR (0.46) PIK3CDPIK3CAPIK3CBPIK3CGDHFR
SCHEMBL3336052 0.82 TRIM58 (0.49) TRIM58NOS3NOS1NOS2ADORA1
SCHEMBL3337714 0.82 TRIM58 (0.49) PIK3CATRIM58DHFRNOS3NOS1
SCHEMBL3340933 0.82 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGTRIM58
SCHEMBL3336844 0.81 GAK (0.47) DHFRNOS1ADORA1GAKL3MBTL1
SCHEMBL3336772 0.81 ADORA1 (0.48) DHFRNOS1ADORA1PDE4APDE4D
SCHEMBL3341739 0.81 DHFR (0.45) PIK3CDPIK3CAPIK3CBPIK3CGDHFR

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
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

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 PIK3CD 2997/4885PIK3CA 2646/4885PIK3CB 3492/4885

“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.