SCHEMBL3336554

SCHEMBL3336554

CCOc1nc(NC(C)=O)nc2ccc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
APP P05067 2/20 0.50
PIK3CG P48736 6/20 0.49
PIK3CA P42336 5/20 0.49
PIK3CD O00329 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA3 P0DMS8 2/20 0.48
MAPK1 P28482 4/20 0.45
YES1 P07947 2/20 0.45
AURKB Q96GD4 2/20 0.45
HIPK1 Q86Z02 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL5132809 0.98 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341092 0.92 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341513 0.91 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3336575 0.90 PIK3CG (0.54) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3332780 0.89 ACHE (0.48) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3338586 0.88 ACHE (0.54) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3336076 0.88 ACHE (0.47) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3337880 0.87 TRIM58 (0.51) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3341531 0.85 ADORA3 (0.47) ACHEAPPPIK3CGPIK3CAPIK3CD
SCHEMBL3331750 0.85 TTK (0.48) MEN1KMT2AKDM4ESMN1; SMN2ADORA3

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 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.