SCHEMBL13298748

SCHEMBL13298748

OC1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 1.00
▸ ADORA1 P30542 17/20 1.00
▸ ADORA3 P0DMS8 15/20 1.00
▸ PPARD Q03181 4/20 0.76
▸ PPARG P37231 1/20 0.76

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
SCHEMBL13318025 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL24414330 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL3323143 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL30513698 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL29700194 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL21704479 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL13317693 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL24414338 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL3328015 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL13298743 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018371-B2 Adenosine derivatives, method for the synthesis thereof, and the pharmaceutical compositions for the prevention and treatment of the inflammatory diseases containing the same as an active ingredient FM THERAPEUTICS CO., LTD. (KR) 2015-04-28 — — US disclosed
US-9018371-B2 Adenosine derivatives, method for the synthesis thereof, and the pharmaceutical compositions for the prevention and treatment of the inflammatory diseases containing the same as an active ingredient FM THERAPEUTICS CO., LTD. (KR) 2015-04-28 — — US disclosed
US-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FUTURE MEDICINE CO., LTD. (KR) 2010-06-03 — — 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-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA3 1/4885

“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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