SCHEMBL3333219

SCHEMBL3333219

CC(=O)Nc1ccc(-c2ccc3ncnc(OC4CCCC4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.51
PIK3CA P42336 7/20 0.51
PIK3CB P42338 7/20 0.51
PIK3CG P48736 7/20 0.51
MAP4K4 O95819 4/20 0.48
RAB9A P51151 1/20 0.48
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
MAPK10 P53779 1/20 0.44
MAP3K8 P41279 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL5131672 0.90 RAB9A (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL3334949 0.84 BRAF (0.43) RAB9ABRAFMAPK10TDP1
SCHEMBL3337132 0.83 CYP2D6 (0.42) MAP4K4RAB9AMAPK10TDP1
SCHEMBL3337222 0.83 MAP4K4 (0.55) MAP4K4RAB9ARAF1BRAFMAPK10
SCHEMBL3337576 0.83 RAB9A (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4
SCHEMBL3338478 0.81 RAB9A (0.56) MAP4K4RAB9ARAF1BRAFMAPK10
SCHEMBL3335815 0.80 MAP4K4 (0.57) MAP4K4RAB9ARAF1BRAFMAPK10
SCHEMBL3336614 0.80 MAP4K4 (0.52) MAP4K4RAB9ARAF1BRAFMAPK10
SCHEMBL4363026 0.79 CYP1A2 (0.62) MAP4K4RAF1BRAFLMNAIRAK4
SCHEMBL3336126 0.79 MAP4K4 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K4

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
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 PIK3CD 2997/4885PIK3CA 2646/4885PIK3CB 3492/4885

“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.