SCHEMBL4096146

SCHEMBL4096146

CCCc1nc(N)nc2ccc(-c3ccc(OC(C)C)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DYRK1A Q13627 3/20 0.37
HEXA P06865 2/20 0.37
HEXB P07686 2/20 0.37
MCL1 Q07820 1/20 0.35
MAPT P10636 3/20 0.35
DYRK2 Q92630 2/20 0.35
CLK1 P49759 1/20 0.35
WDR5 P61964 1/20 0.34
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 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
TP53 P04637 1/20 0.34
DHFR P00374 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
SCHEMBL4107851 0.86 HRH2 (0.51) HRH2HRH3DYRK1AHEXAHEXB
SCHEMBL4794677 0.86 MAP4K4 (0.36) MAP4K4DYRK1AMCL1MAPTDYRK2
SCHEMBL4102118 0.84 DHFR (0.46) MAP4K4HEXAHEXBMAPTTP53
SCHEMBL4114967 0.83 NPC1 (0.43) MAP4K4HRH2HRH3HEXAHEXB
SCHEMBL4107317 0.83 MAP4K4 (0.41) MAP4K4DYRK1AMCL1MAPTDYRK2
SCHEMBL4105773 0.82 DHFR (0.43) HRH2HRH3HEXAHEXBMAPT
SCHEMBL4112365 0.82 XDH (0.41) MAP4K4HEXAHEXBCLK1DHFR
SCHEMBL4095651 0.81 DHFR (0.43) MAP4K4HEXAHEXBDHFRTLR8
SCHEMBL4104502 0.81 MAOB (0.41) HRH2HRH3HEXAHEXBMAPT
SCHEMBL4102869 0.80 HEXA (0.39) MAP4K4HEXAHEXBPIK3CDPIK3CB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAP4K4 2166/4885HRH2 1215/4885HRH3 1351/4885

“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.