SCHEMBL19129790

SCHEMBL19129790

CC1(C)OC2CS[C@@H](c3cnc4c(N)nccn34)[C@H]2O1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.57
▸ AHCY P23526 1/20 0.42
▸ TLR7 Q9NYK1 4/20 0.37

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
SCHEMBL19146407 1.00 ADORA3 (0.57) ADORA3AHCYTLR7
SCHEMBL19129592 0.87 ADORA3 (0.41) ADORA3
SCHEMBL19124228 0.87 ADORA3 (0.41) ADORA3
SCHEMBL19146605 0.87 ADORA3 (0.41) ADORA3
SCHEMBL19130140 0.82 ADORA3 (0.57) ADORA3
SCHEMBL19145999 0.82 ADORA3 (0.57) ADORA3
SCHEMBL2128315 0.80 AHCY (0.55) ADORA3AHCYTLR7
SCHEMBL19130163 0.78 ADORA3 (0.33) ADORA3
SCHEMBL19124363 0.78 ADORA3 (0.32) ADORA3
SCHEMBL19129776 0.75 — —

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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 — — US 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

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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885AHCY 457/4885TLR7 1386/4885

“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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