SCHEMBL3336061

SCHEMBL3336061

Nc1nc(OC2CCOC2)c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.54
HPGD P15428 1/20 0.52
PIK3CA P42336 2/20 0.52
MTOR P42345 2/20 0.52
PIK3CG P48736 2/20 0.52
HPGDS O60760 2/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3336059 1.00 CD274 (0.54) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL3335087 0.95 PIK3CA (0.54) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL3335079 0.95 PIK3CA (0.54) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL5131249 0.92 PIK3CA (0.51) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL3335092 0.91 PIK3CA (0.50) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL3335090 0.91 PIK3CA (0.50) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL823780 0.87 PIK3CA (0.51) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL826378 0.87 PIK3CA (0.51) CD274HPGDPIK3CAMTORPIK3CG
SCHEMBL3335713 0.87 BRAF (0.48) CD274PIK3CAMTORPIK3CGHPGDS
SCHEMBL3335711 0.87 BRAF (0.48) CD274PIK3CAMTORPIK3CGHPGDS

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 4 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
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 CD274 3803/4885HPGD 3242/4885PIK3CA 2646/4885

“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.