SCHEMBL3337232

SCHEMBL3337232

COCCOc1nc(N)nc2ccc(-c3ccc(F)c(F)c3F)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.38
PIK3CA P42336 6/20 0.36
MTOR P42345 2/20 0.36
TSHR P16473 1/20 0.35
HSP90AB1 P08238 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PDE2A O00408 1/20 0.34
MAP4K4 O95819 1/20 0.34
FEN1 P39748 3/20 0.34
ATM Q13315 2/20 0.34
DHFR P00374 2/20 0.33
ALOX5AP P20292 2/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL3338161 0.90 DYRK1A (0.40) SQORPIK3CAMTORTSHRPIK3CD
SCHEMBL3336058 0.87 DHFR (0.42) PIK3CAMTORHSP90AB1MAP4K4ATM
SCHEMBL3335310 0.86 PIK3CA (0.39) SQORPIK3CAMTORTSHRHSP90AB1
SCHEMBL5139806 0.86 TOP2A (0.39) PIK3CAMTORATMADORA2A
SCHEMBL3336307 0.83 NMT1 (0.43) SQORPIK3CAMTORTSHRPIK3CD
SCHEMBL3336135 0.82 SQOR (0.46) SQORPIK3CAMTORTSHRPIK3CD
SCHEMBL3335492 0.81 ALOX5AP (0.42) PIK3CAMTORTSHRHSP90AB1MAP4K4
SCHEMBL3337841 0.80 DHFR (0.44) SQORPIK3CAMTORTSHRHSP90AB1
SCHEMBL3335246 0.80 FEN1 (0.41) MTORFEN1ALOX5AP
SCHEMBL3333821 0.79 HSP90AB1 (0.47) PIK3CAMTORTSHRHSP90AB1PIK3CD

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 SQOR 744/4885PIK3CA 2646/4885MTOR 3038/4885

“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.