SCHEMBL4124622

SCHEMBL4124622

CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCCCN4CCC(C(=O)O)CC4)cc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.66
IL6 P05231 7/20 0.61
TLR8 Q9NR97 3/20 0.60

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
SCHEMBL4129812 0.92 TLR7 (0.64) TLR7IL6TLR8
SCHEMBL4122217 0.92 TLR7 (0.68) TLR7IL6TLR8
SCHEMBL13871698 0.92 TLR7 (0.72) TLR7IL6TLR8
SCHEMBL4141768 0.91 TLR7 (0.65) TLR7IL6
SCHEMBL4225893 0.90 TLR7 (0.76) TLR7TLR8
SCHEMBL4134398 0.89 TLR7 (0.65) TLR7IL6
SCHEMBL4218055 0.89 TLR7 (0.75) TLR7TLR8
SCHEMBL4215880 0.89 TLR7 (0.75) TLR7TLR8
SCHEMBL4211225 0.89 TLR7 (0.75) TLR7TLR8
SCHEMBL4217581 0.89 TLR7 (0.75) TLR7TLR8

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-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US claimed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TLR7 396/4885IL6 3519/4885TLR8 1412/4885

“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.