SCHEMBL14393445

SCHEMBL14393445

Cc1ccc(OC(=O)N2CCC(Cc3nc(N)c4ncn(CO[C@H](C(=O)NC5CC5)[C@H](O)CO)c4n3)CC2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.33
▸ ACACB O00763 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL13625679 1.00 ADORA2A (0.33) ADORA2AACACBMAP4K4
SCHEMBL14393331 0.91 ADORA2A (0.32) ADORA2A
SCHEMBL13625741 0.91 ADORA2A (0.32) ADORA2A
SCHEMBL14393332 0.91 ADORA2A (0.32) ADORA2A
SCHEMBL13625864 0.90 ADORA2A (0.33) ADORA2A
SCHEMBL13625945 0.90 MGLL (0.33) ADORA2A
SCHEMBL14393604 0.90 MGLL (0.33) ADORA2A
SCHEMBL13625722 0.90 ADORA2A (0.34) ADORA2A
SCHEMBL13625725 0.89 ADORA2A (0.32) ADORA2A
SCHEMBL8932177 0.88 ADORA2A (0.41) ADORA2AMAP4K4

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 1/4885ACACB 4254/4885MAP4K4 3288/4885

“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.

Send feedback