SCHEMBL3335542

SCHEMBL3335542

CCOc1nc(N)nc2ccc(-c3cccc(O)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
MAP4K4 O95819 3/20 0.50
PIK3CG P48736 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 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
SCHEMBL3336519 0.88 ESR1 (0.41) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3333919 0.88 SRC (0.51) SRCMAP4K4PIK3CGPIK3CDPIK3CA
SCHEMBL3334635 0.85 SRC (0.49) SRCMAP4K4PIK3CGPIK3CDPIK3CA
SCHEMBL3337708 0.83 TRIM58 (0.49) SRCMAP4K4PIK3CGPIK3CDPIK3CA
SCHEMBL3331148 0.83 DHFR (0.48) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3337252 0.82 SRC (0.51) SRCMAP4K4PIK3CGPIK3CDPIK3CA
SCHEMBL3337685 0.82 ADORA2A (0.53) MAP4K4ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL3334236 0.82 HSP90AB1 (0.50) MAP4K4ADORA2ANPC1ALDH1A1MAPK1
SCHEMBL3335317 0.81 MAP4K4 (0.48) MAP4K4DHFR
SCHEMBL3337583 0.81 MAP4K4 (0.47) MAP4K4PIK3CDPIK3CAADORA2ANPC1

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
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
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 SRC 1128/4885MAP4K4 2433/4885PIK3CG 3210/4885

“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.