SCHEMBL4101913

SCHEMBL4101913

CCCc1nc(N)nc2ccc(-c3ccccc3C(=O)OC)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.47
TLR7 Q9NYK1 5/20 0.46
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
MAP4K1 Q92918 1/20 0.38
ATR Q13535 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
GRK6 P43250 1/20 0.37
SDHB P21912 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4102052 0.90 HSP90AA1 (0.50) TLR8TLR7ALDH1A1HSD17B10HSP90AA1
SCHEMBL4097644 0.89 KDM4E (0.37) TLR8TLR7PTPN1ALDH1A1HSD17B10
SCHEMBL4105031 0.86 TLR8 (0.43) TLR8TLR7SLC6A3SLC6A4SLC6A2
SCHEMBL4842810 0.82 HSP90AA1 (0.42) ALDH1A1HSD17B10HSP90AA1
SCHEMBL4100875 0.81 PDE4A (0.42) TLR8TLR7HSD17B10MEN1KMT2A
SCHEMBL4102097 0.80 GAA (0.41) TLR8TLR7HSP90AA1
SCHEMBL4109882 0.80 TLR8 (0.48) TLR8TLR7ALDH1A1HSD17B10HSP90AA1
SCHEMBL4110136 0.80 ATR (0.48) TLR8TLR7SLC6A3SLC6A4SLC6A2
SCHEMBL4095683 0.80 DHFR (0.51) TLR8TLR7
SCHEMBL4105834 0.78 DHFR (0.34) TLR8TLR7

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 TLR8 936/4885TLR7 503/4885SLC6A3 713/4885

“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.