SCHEMBL3338428

SCHEMBL3338428

COCCOc1nc(N)nc2ccc(-c3ccc(Cl)s3)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PIK3CA P42336 4/20 0.39
PI4KA P42356 2/20 0.39
PIK3CG P48736 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
HSP90AB1 P08238 1/20 0.37
TSHR P16473 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MTOR P42345 1/20 0.33
ADORA2A P29274 1/20 0.33
TP53 P04637 1/20 0.32
KDM1A O60341 2/20 0.32
PGR P06401 1/20 0.32
UTRN P46939 1/20 0.32

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
SCHEMBL3331878 0.81 ADORA2A (0.42) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3336365 0.81 APP (0.43) PIK3CAPI4KAPIK3CGPI4KBPIK3CD
SCHEMBL3337841 0.80 DHFR (0.44) PIK3CAPI4KAPIK3CGPI4KBPIK3CD
SCHEMBL3333821 0.79 HSP90AB1 (0.47) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3337443 0.78 NOTUM (0.38) PIK3CAPI4KAPIK3CGPI4KBPIK3CD
SCHEMBL3340872 0.78 PIK3CA (0.40) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3336135 0.78 SQOR (0.46) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3337803 0.77 HRH1 (0.44) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3335310 0.77 PIK3CA (0.39) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG
SCHEMBL3337376 0.77 DHFR (0.46) PDGFRBPDGFRAPIK3CAPI4KAPIK3CG

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 PDGFRB 2615/4885PDGFRA 1993/4885PIK3CA 2646/4885

“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.