SCHEMBL4576859

SCHEMBL4576859

COCCOc1nc(N)c2nc(OC)n(CCC3CCN(CC(=O)Nc4cccc(CC(=O)OC)c4)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.47
DRD4 P21917 4/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4591514 0.88 TLR7 (0.48) TLR7
SCHEMBL4576572 0.86 TLR7 (0.63) TLR7
SCHEMBL4576857 0.86 TLR7 (0.44) TLR7DRD4DRD2DRD3SMN1; SMN2
SCHEMBL4576914 0.85 TLR7 (0.48) TLR7
SCHEMBL14024996 0.83 TLR7 (0.45) TLR7
SCHEMBL4576845 0.82 TLR7 (0.48) TLR7
SCHEMBL4576654 0.81 TLR7 (0.48) TLR7
SCHEMBL4576929 0.81 TLR7 (0.55) TLR7
SCHEMBL4577261 0.81 TLR7 (0.64) TLR7
SCHEMBL4905279 0.80 TLR7 (0.48) 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 3 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 disclosed
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 612/4885DRD4 1523/4885DRD2 967/4885

“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.