SCHEMBL3335310

SCHEMBL3335310

COCCOc1nc(N)nc2ccc(-c3ccc(F)c(F)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MTOR P42345 2/20 0.38
TSHR P16473 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
HSP90AB1 P08238 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR68 Q15743 1/20 0.36
MAP4K4 O95819 2/20 0.36
ADORA2A P29274 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
NCF1 P14598 1/20 0.34

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
SCHEMBL3336135 0.89 SQOR (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3337232 0.86 SQOR (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3340999 0.86 DHFR (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3337841 0.86 DHFR (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3333821 0.85 HSP90AB1 (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3340872 0.84 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3337376 0.83 DHFR (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3338161 0.83 DYRK1A (0.40) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4526302 0.82 MAP4K4 (0.39) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3335044 0.81 PIM1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG

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 PIK3CA 2646/4885PIK3CD 2997/4885PIK3CB 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.