SCHEMBL4113446

SCHEMBL4113446

Cn1ccc2cc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
MAP4K4 O95819 1/20 0.42
FAAH O00519 5/20 0.40
PRKCI P41743 1/20 0.40
SLC2A1 P11166 1/20 0.39
DHFR P00374 1/20 0.39
ADORA2A P29274 2/20 0.39
GRK5 P34947 1/20 0.39
NUDT1 P36639 1/20 0.39
MAOB P27338 1/20 0.38
APP P05067 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
TGFBR1 P36897 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37

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
SCHEMBL4108367 0.83 FAAH (0.49) HSD11B1MAP4K4FAAHPRKCISLC2A1
SCHEMBL4097655 0.80 CYP1A1 (0.57) MAP4K4DHFRADORA2ANUDT1SRC
SCHEMBL4096037 0.79 PIK3CD (0.47) MAP4K4PIK3CDABL1SRC
SCHEMBL4107065 0.79 DHFR (0.41) HSD11B1MAP4K4FAAHPRKCIDHFR
SCHEMBL4097472 0.79 ADORA2A (0.53) MAP4K4DHFRADORA2ANUDT1
SCHEMBL4097044 0.74 ADORA1 (0.46) MAP4K4DHFRADORA2ANUDT1
SCHEMBL4107610 0.74 SCN9A (0.53) MAP4K4ADORA2ANUDT1
SCHEMBL4097613 0.74 ADORA2A (0.60) MAP4K4ADORA2ANUDT1
SCHEMBL4102410 0.74 MAP4K4 (0.48) MAP4K4DHFRADORA2ANUDT1
SCHEMBL4114294 0.74 MAP4K4 (0.48) MAP4K4DHFRADORA2ANUDT1

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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 HSD11B1 2413/4885MAP4K4 2166/4885FAAH 3727/4885

“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.