SCHEMBL14393440

SCHEMBL14393440

Cc1ccc(OC(=O)N2CCC(CC#Cc3nc(N)c4ncn(CO[C@H](CO)[C@@H](C)O)c4n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PIK3CD O00329 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL14393419 0.94 ADORA2A (0.45) ADORA2AADORA3ADORA1
SCHEMBL14393418 0.94 ADORA2A (0.47) ADORA2AADORA3ADORA1
SCHEMBL14393621 0.93 ADORA2A (0.44) ADORA2AADORA3ADORA1
SCHEMBL14393334 0.91 ADORA2A (0.44) ADORA2AADORA3ADORA1
SCHEMBL14393330 0.91 ADORA2A (0.44) ADORA2AADORA3ADORA1
SCHEMBL13625739 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1PIK3CDTLR9
SCHEMBL14393420 0.86 ADORA2A (0.41) ADORA2AADORA3ADORA1
SCHEMBL14393655 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA1
SCHEMBL559647 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1PIK3CD
SCHEMBL13626210 0.82 ADORA2A (0.45) ADORA2AADORA3ADORA1

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-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 — — 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-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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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