SCHEMBL3337880

SCHEMBL3337880

COc1ccc(-c2ccc3nc(NC(C)=O)nc(OCC4CC4)c3c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.51
ACHE P22303 2/20 0.46
APP P05067 1/20 0.46
PIK3CG P48736 7/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CA P42336 6/20 0.45
PIK3CB P42338 5/20 0.45
ADORA3 P0DMS8 2/20 0.44
SYK P43405 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
STK17B O94768 3/20 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
SCHEMBL5146071 0.88 MAP3K11 (0.45) TRIM58PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3337025 0.87 TRIM58 (0.56) TRIM58ADORA3MEN1ALDH1A1KMT2A
SCHEMBL3336554 0.87 ACHE (0.50) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL3333859 0.86 TRIM58 (0.55) TRIM58
SCHEMBL3336575 0.85 PIK3CG (0.54) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL3341092 0.85 ACHE (0.48) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL3332780 0.85 ACHE (0.48) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL5132809 0.85 ACHE (0.48) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL3341513 0.84 ACHE (0.48) ACHEAPPPIK3CGPIK3CDPIK3CA
SCHEMBL3334990 0.83 PIK3CD (0.50) ACHEAPPPIK3CGPIK3CDPIK3CA

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
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 TRIM58 1431/4885ACHE 3590/4885APP 3044/4885

“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.