SCHEMBL4134428

SCHEMBL4134428

COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(CN(C)CC(=O)O)cc3)c2n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.73
NUDT1 P36639 2/20 0.73
IL6 P05231 1/20 0.55

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
SCHEMBL4125175 0.92 TLR7 (0.69) TLR7NUDT1IL6
SCHEMBL4134183 0.91 TLR7 (0.74) TLR7IL6
SCHEMBL1146177 0.91 TLR7 (0.85) TLR7NUDT1IL6
SCHEMBL4122398 0.90 TLR7 (0.66) TLR7NUDT1IL6
SCHEMBL1146487 0.89 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL4133116 0.88 TLR7 (0.66) TLR7NUDT1IL6
SCHEMBL1146727 0.88 TLR7 (0.79) TLR7NUDT1IL6
SCHEMBL1146403 0.87 TLR7 (0.71) TLR7NUDT1IL6
SCHEMBL1146292 0.85 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL29997135 0.85 TLR7 (0.82) TLR7NUDT1IL6

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-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US claimed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP claimed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
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 396/4885NUDT1 3/4885IL6 3519/4885

“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.