SCHEMBL4576582

SCHEMBL4576582

COCCOc1nc(N)c2[nH]c(=O)n(C(C)C3CCN(CC(=O)Nc4cccc(CC(=O)OC)c4)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.58
NUDT1 P36639 1/20 0.44
IL6 P05231 1/20 0.40
TLR8 Q9NR97 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4898758 0.95 TLR7 (0.59) TLR7IL6TLR8
SCHEMBL4591271 0.95 TLR7 (0.51) TLR7NUDT1IL6TLR8DRD2
SCHEMBL4576892 0.89 TLR7 (0.51) TLR7IL6TLR8
SCHEMBL4576572 0.88 TLR7 (0.63) TLR7NUDT1TLR8
SCHEMBL4578268 0.87 TLR7 (0.59) TLR7NUDT1TLR8
SCHEMBL4576857 0.86 TLR7 (0.44) TLR7DRD2DRD4DRD3
SCHEMBL4576840 0.84 TLR7 (0.58) TLR7NUDT1TLR8
SCHEMBL4577261 0.83 TLR7 (0.64) TLR7TLR8
SCHEMBL4576568 0.83 TLR7 (0.58) TLR7NUDT1
SCHEMBL4576929 0.83 TLR7 (0.55) TLR7NUDT1TLR8

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-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US claimed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP claimed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TLR7 612/4885NUDT1 7/4885IL6 3290/4885

“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.