SCHEMBL19124427

SCHEMBL19124427

O[C@@H]1[C@H](O)CS[C@H]1c1cnc2c(NCc3ncccn3)nccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00

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
SCHEMBL19124343 0.88 ADORA3 (1.00) ADORA3
SCHEMBL19124221 0.88 ADORA3 (1.00) ADORA3
SCHEMBL19125174 0.86 ADORA3 (1.00) ADORA3
SCHEMBL19124204 0.86 ADORA3 (1.00) ADORA3
SCHEMBL19124149 0.85 ADORA3 (1.00) ADORA3
SCHEMBL19124581 0.85 ADORA3 (1.00) ADORA3
SCHEMBL19125089 0.85 ADORA3 (1.00) ADORA3
SCHEMBL19124230 0.85 ADORA3 (1.00) ADORA3
SCHEMBL19124243 0.85 ADORA3 (1.00) ADORA3
SCHEMBL19124157 0.85 ADORA3 (1.00) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402798-B1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC (KR) 2021-04-28 — — EP disclosed
US-10196396-B2 Compounds antagonizing A3 adenosine receptor, method for preparing them, and medical-use thereof HANDOK INC. (KR) 2019-02-05 — — US disclosed
EP-3402798-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF Handok Inc. (KR) 2018-11-21 — — EP disclosed
US-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 — — US disclosed
WO-2017123058-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 — — WO 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 (2 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-10196396-B2 Compounds antagonizing A3 adenosine receptor, method for preparing them, and medical-use thereof ADORA2A, ADORA3, ADORA1 ADORA3 2/4885
US-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 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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