SCHEMBL10309723

SCHEMBL10309723

CCCc1nc(N)c2nc(Br)n(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.44
▸ ADORA1 P30542 9/20 0.44
▸ TLR7 Q9NYK1 10/20 0.43
▸ ADORA2B P29275 7/20 0.41
▸ TMIGD3 P0DMS9 3/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL2060315 0.84 ADORA2A (0.38) ADORA2AADORA1TLR7ADORA2BTMIGD3
SCHEMBL10309722 0.81 PDE4A (0.43) ADORA2AADORA1TLR7ADORA2BTMIGD3
SCHEMBL13233223 0.77 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL2060338 0.77 TLR7 (0.52) TLR7
SCHEMBL10309738 0.77 TLR7 (0.47) ADORA1TLR7
SCHEMBL2060449 0.76 TLR7 (0.51) ADORA2AADORA1TLR7ADORA2BTMIGD3
SCHEMBL6153574 0.76 TLR7 (0.63) ADORA2AADORA1TLR7ADORA2BTMIGD3
SCHEMBL19378277 0.75 TLR7 (0.43) ADORA1TLR7ADORA3
SCHEMBL10174470 0.74 TSHR (0.40) ADORA2AADORA1TLR7
SCHEMBL2060341 0.73 ADORA2A (0.45) ADORA2AADORA1TLR7ADORA2BTMIGD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA2A 4/4885ADORA1 1/4885TLR7 252/4885

“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.

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