SCHEMBL5827739

SCHEMBL5827739

OC1C(O)C(C(O)n2cnc3c(NCc4cccc(I)c4)ncnc32)C2CC12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.70
▸ ADORA2A P29274 10/20 0.70
▸ ADORA1 P30542 10/20 0.70
▸ PPARD Q03181 2/20 0.56
▸ PPARG P37231 1/20 0.56
▸ ADORA2B P29275 1/20 0.53

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
SCHEMBL6013498 0.86 ADORA3 (0.68) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL5829486 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL27586063 0.73 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3060344 0.72 ADORA3 (0.73) ADORA3ADORA2AADORA1PPARDADORA2B
SCHEMBL3060342 0.72 ADORA3 (0.73) ADORA3ADORA2AADORA1PPARDADORA2B
SCHEMBL22349409 0.72 CDK1 (0.73) ADORA3ADORA2AADORA1
SCHEMBL29501881 0.72 CDK1 (0.73) ADORA3ADORA2AADORA1
SCHEMBL24414330 0.72 ADORA2A (1.00) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL13298748 0.72 ADORA2A (1.00) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL13318025 0.72 ADORA2A (1.00) ADORA3ADORA2AADORA1PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087589-B2 Methanocarba cycloakyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-08 — — US disclosed
US-20030216412-A1 Methanocarba cycloakyl nucleoside analogues HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, THE, REPRESENTED BY THE SECRETARY, DEPARTMENT OF 2003-11-20 — — 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-20030216412-A1 Methanocarba cycloakyl nucleoside analogues P2RY1, ADORA1, ADORA2A ADORA3 4/4885ADORA2A 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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