Sugi Predict

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SCHEMBL8959443

SCHEMBL8959443

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CC[C@@H](Nc5nc(N6CC[C@@H](CC(=O)Nc7cccnc7)C6)nc6c5ncn6[C@@H]5C[C@H](NC(=O)CC)[C@@H](O)[C@H]5O)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.55
▸ ADORA3 P0DMS8 8/20 0.55

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
SCHEMBL2932681 0.93 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL2935334 0.93 ADORA2A (0.54) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL1402048 0.87 ADORA2A (0.53) ADORA2AADORA3
Hydrochloric Acid SCHEMBL253534 0.87 ADORA2A (0.52) ADORA2AADORA3
SCHEMBL4111421 0.86 ADORA2A (0.51) ADORA2AADORA3
SCHEMBL4111416 0.86 ADORA2A (0.51) ADORA2AADORA3
SCHEMBL2930112 0.85 ADORA2A (0.57) ADORA2AADORA3
SCHEMBL2930108 0.85 ADORA2A (0.57) ADORA2AADORA3
SCHEMBL242165 0.85 ADORA2A (0.49) ADORA2AADORA3
SCHEMBL242164 0.85 ADORA2A (0.49) ADORA2AADORA3

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-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 — — US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 — — US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 — — US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 — — 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-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA3 4/4885

“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.