SCHEMBL4124481

SCHEMBL4124481

CCCCOc1nc(N)c2nc(OC)n(Cc3ccc(OCC4CCN(CC(=O)OC)CC4)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.47
IL6 P05231 2/20 0.43
P2RX3 P56373 1/20 0.41

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
SCHEMBL4141793 0.85 TLR7 (0.43) TLR7
SCHEMBL4129006 0.84 TLR7 (0.69) TLR7IL6
SCHEMBL4121454 0.82 TLR7 (0.67) TLR7
SCHEMBL4134236 0.80 TLR7 (0.58) TLR7
SCHEMBL4225906 0.80 TLR7 (0.51) TLR7
SCHEMBL4130149 0.79 HRH3 (0.53) TLR7
SCHEMBL4212936 0.79 TLR7 (0.48) TLR7
SCHEMBL4211124 0.79 TLR7 (0.48) TLR7
SCHEMBL4224644 0.78 TLR7 (0.47) TLR7
SCHEMBL2060311 0.78 TLR7 (0.57) TLR7

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 4 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 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 396/4885IL6 3519/4885P2RX3 288/4885

“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.