SCHEMBL4130149

SCHEMBL4130149

CCCCOc1nc(N)c2nc(OC)n(Cc3ccc(OCCCCN4CCC(C(=O)OCC)CC4)cc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
TLR7 Q9NYK1 13/20 0.52
KCNH2 Q12809 3/20 0.51
LTA4H P09960 1/20 0.47
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL4134119 0.85 TLR7 (0.45) TLR7
SCHEMBL4223137 0.83 TLR7 (0.48) TLR7
SCHEMBL4135314 0.83 TLR7 (0.46) TLR7
SCHEMBL4215187 0.83 TLR7 (0.48) TLR7
SCHEMBL4227687 0.83 TLR7 (0.48) TLR7
SCHEMBL4224695 0.83 TLR7 (0.48) TLR7
SCHEMBL4223818 0.83 TLR7 (0.48) TLR7
SCHEMBL4223319 0.82 TLR7 (0.49) TLR7
SCHEMBL4129067 0.82 TLR7 (0.49) TLR7
SCHEMBL4216266 0.81 TLR7 (0.47) 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 2 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
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 HRH3 162/4885TLR7 396/4885KCNH2 1146/4885

“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.