SCHEMBL24178187

SCHEMBL24178187

CONc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H](O)[C@H](O)[C@@H](CO)OC

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.56
▸ ADORA2A P29274 16/20 0.56
▸ ADORA1 P30542 14/20 0.56

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
SCHEMBL24615076 0.73 ADORA2A (0.54) ADORA3ADORA2AADORA1
SCHEMBL4387417 0.71 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL31061129 0.71 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL27430176 0.71 CDK1 (0.63) ADORA3ADORA2AADORA1
SCHEMBL6384536 0.70 ADORA3 (0.57) ADORA3ADORA2AADORA1
SCHEMBL24615077 0.70 ADORA3 (0.54) ADORA3ADORA2AADORA1
SCHEMBL24707891 0.70 ADORA3 (0.62) ADORA3ADORA2AADORA1
SCHEMBL25566237 0.70 ADORA3 (0.72) ADORA3ADORA2AADORA1
SCHEMBL24178186 0.70 ADORA3 (0.62) ADORA3ADORA2AADORA1
SCHEMBL25612785 0.70 ADORA3 (0.62) ADORA3ADORA2AADORA1

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-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — US disclosed
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-01 — — US disclosed
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-06 — — 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 (3 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-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA2A 436/4885ADORA1 994/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA2A 436/4885ADORA1 994/4885
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA2A 436/4885ADORA1 994/4885

“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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