SCHEMBL12652117

SCHEMBL12652117

CCCCOc1cc2c([nH]c(=O)c(=O)n2Cc2ccc(CN3CCCC3)cc2)c(N)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.49
IL6 P05231 4/20 0.49
TSHR P16473 1/20 0.45
TLR8 Q9NR97 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL12651791 0.97 TLR7 (0.48) TLR7IL6TSHRTLR8CYP3A4
SCHEMBL12652134 0.94 TLR7 (0.52) TLR7IL6TLR8CYP3A4
SCHEMBL12651796 0.92 TLR7 (0.47) TLR7IL6TLR8CYP3A4
SCHEMBL12767475 0.88 TLR7 (0.55) TLR7IL6
SCHEMBL1869091 0.88 TLR7 (0.57) TLR7IL6
SCHEMBL12766970 0.83 TLR7 (0.56) TLR7IL6
SCHEMBL13274936 0.82 TLR7 (0.67) TLR7IL6CYP3A4
SCHEMBL13275562 0.80 TLR7 (0.64) TLR7IL6
SCHEMBL12766701 0.79 TLR7 (0.53) TLR7IL6
SCHEMBL15692268 0.79 TLR7 (0.54) TLR7IL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476270-B2 Dihydropyrido[4,3-b]pyrazine-3-ones as modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-20110124627-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
WO-2011031965-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-03-17 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-20110124627-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR6, TLR1 TLR7 9/4885IL6 1848/4885TSHR 1608/4885

“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.