SCHEMBL3336076

SCHEMBL3336076

COc1ccc(-c2ccc3nc(NC(C)=O)nc(OCC(F)(F)F)c3c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
APP P05067 1/20 0.47
PIK3CG P48736 5/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CD O00329 3/20 0.46
ADORA3 P0DMS8 2/20 0.45
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
YES1 P07947 2/20 0.41
AURKB Q96GD4 2/20 0.41
PDE4B Q07343 2/20 0.41
HIPK1 Q86Z02 1/20 0.41
KIT P10721 1/20 0.40
DHODH Q02127 2/20 0.40
PIK3CB P42338 2/20 0.40
DYRK1A Q13627 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
SCHEMBL3336554 0.88 ACHE (0.50) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3336872 0.87 ACHE (0.52) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341530 0.87 PIK3CA (0.44) PIK3CGPIK3CAPIK3CDADORA3MEN1
SCHEMBL3335653 0.87 SYK (0.45) PIK3CAADORA3MEN1KMT2AALDH1A1
SCHEMBL3336575 0.86 PIK3CG (0.54) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341092 0.86 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3332780 0.86 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL5132809 0.86 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341513 0.85 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3338586 0.84 ACHE (0.54) ACHEAPPPIK3CGPIK3CAPIK3CD

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 ACHE 3590/4885APP 3044/4885PIK3CG 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.