SCHEMBL4413005

SCHEMBL4413005

CS(=O)(=O)CCNc1nc(N)nc2ccc(-c3cccc(C(N)=O)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.46
TLR7 Q9NYK1 10/20 0.46
MAP4K4 O95819 7/20 0.41
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
LDHB P07195 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL4413009 0.88 MAP4K4 (0.43) TLR8TLR7MAP4K4
SCHEMBL823722 0.85 NPC1 (0.46) MAP4K4
SCHEMBL823602 0.81 PRMT6 (0.41) MAP4K4
SCHEMBL826599 0.79 TLR7 (0.37) TLR8TLR7
SCHEMBL823774 0.78 MKNK1 (0.43) TLR8TLR7MAP4K4
SCHEMBL823619 0.77 TLR8 (0.40) TLR8TLR7
SCHEMBL823723 0.77 NPC1 (0.41) TLR8TLR7
SCHEMBL823766 0.77 SYK (0.37) TLR8TLR7
SCHEMBL823727 0.77 TLR8 (0.39) TLR8TLR7
SCHEMBL4101142 0.75 MAP4K4 (0.44) TLR8TLR7MAP4K4LDHBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP TLR8 2236/4885TLR7 1598/4885MAP4K4 2930/4885

“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.