SCHEMBL3337697

SCHEMBL3337697

CC(=O)Nc1ccc(-c2ccc3ncnc(OCCN4CCOCC4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 4/20 0.51
CLK4 Q9HAZ1 4/20 0.51
CYP1A2 P05177 3/20 0.51
HSD17B10 Q99714 2/20 0.51
JAK2 O60674 1/20 0.49
MAP4K4 O95819 2/20 0.48
MOK Q9UQ07 5/20 0.48
PIK3CA P42336 2/20 0.47
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.47
FLT3 P36888 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 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
SCHEMBL3336361 0.87 MOK (0.51) JAK2MOKPIK3CANTRK1FLT3
SCHEMBL3339873 0.86 MOK (0.50) JAK2MOKPIK3CANTRK1FLT3
SCHEMBL3333531 0.82 CYP1A2 (0.48) USP2ALDH1A1CYP3A4CLK4CYP1A2
SCHEMBL3339885 0.82 RAB9A (0.54) MAP4K4PIK3CAEGFRPIK3CGLMNA
SCHEMBL3336347 0.81 RAB9A (0.53) CYP1A2MAP4K4PIK3CAEGFRPIK3CG
SCHEMBL3338466 0.81 RAB9A (0.53) USP2ALDH1A1CYP3A4CLK4CYP1A2
SCHEMBL4355005 0.80 CLK4 (0.69) USP2ALDH1A1CYP3A4CLK4CYP1A2
SCHEMBL3338478 0.79 RAB9A (0.56) CYP1A2MAP4K4LMNA
SCHEMBL3337915 0.79 PIK3CA (0.57) USP2ALDH1A1CYP3A4CLK4CYP1A2
SCHEMBL3334893 0.79 MAPK14 (0.49) MOKPIK3CAGRM4

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 6 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
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 USP2 4007/4885ALDH1A1 2902/4885CYP3A4 41/4885

“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.