SCHEMBL19124330

SCHEMBL19124330

Fc1cccc(F)c1CCNc1nccn2c([C@@H]3CCCS3)nnc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.66
▸ ADORA2A P29274 3/20 0.53
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL19124238 0.90 ADORA3 (0.67) ADORA3ADORA2AADORA1
SCHEMBL19124220 0.90 ADORA3 (0.66) ADORA3ADORA2AADORA1
SCHEMBL19124414 0.86 ADORA3 (0.68) ADORA3ADORA2AADORA1
SCHEMBL19124440 0.85 ADORA3 (0.65) ADORA3ADORA2AADORA1
SCHEMBL23270030 0.85 ADORA3 (0.64) ADORA3ADORA2A
SCHEMBL19124375 0.85 ADORA3 (0.67) ADORA3ADORA2A
SCHEMBL19124119 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1
SCHEMBL19124207 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1
SCHEMBL19123994 0.83 ADORA3 (0.65) ADORA3ADORA2AADORA1
SCHEMBL19124327 0.83 ADORA3 (0.68) ADORA3ADORA2A

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 1 patent. 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

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 2/4885ADORA2A 1/4885ADORA1 3/4885

“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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