SCHEMBL4095683

SCHEMBL4095683

CCCc1nc(N)nc2ccc(-c3cccc(C(=O)OC)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.51
TLR8 Q9NR97 3/20 0.48
TLR7 Q9NYK1 3/20 0.48
MAP4K4 O95819 6/20 0.43
PLAU P00749 2/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CDK8 P49336 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4101378 0.91 NPC1 (0.44) DHFRMAP4K4NPC1RAB9A
SCHEMBL4112827 0.89 MAP4K4 (0.41) DHFRTLR8TLR7MAP4K4MAPT
SCHEMBL4109882 0.88 TLR8 (0.48) DHFRTLR8TLR7NPC1MAPT
SCHEMBL4101142 0.88 MAP4K4 (0.44) DHFRTLR8TLR7MAP4K4
SCHEMBL4100914 0.85 DHFR (0.54) DHFRTLR8TLR7MAP4K4GABRG2
SCHEMBL4097042 0.85 MAP4K4 (0.43) DHFRTLR8TLR7MAP4K4
SCHEMBL4847011 0.84 MAP4K4 (0.41) DHFRTLR8MAP4K4
SCHEMBL4107035 0.84 HPGD (0.46) MAP4K4NPC1RAB9A
SCHEMBL4104866 0.84 MAP4K4 (0.62) MAP4K4
SCHEMBL4102097 0.83 GAA (0.41) DHFRTLR8TLR7CA12CA1

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-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
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 DHFR 145/4885TLR8 936/4885TLR7 503/4885

“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.