SCHEMBL22463752

SCHEMBL22463752

Nc1nc(Cl)nc2sc(-c3ccco3)nc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.72
ADORA3 P0DMS8 19/20 0.72
ADORA1 P30542 19/20 0.72
ADORA2B P29275 10/20 0.62

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
SCHEMBL22463747 0.85 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22493221 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22730067 0.77 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL659393 0.74 ADORA2A (0.60) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9313310 0.74 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22463741 0.74 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22463754 0.73 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22730068 0.73 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22463748 0.71 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL22463746 0.71 ADORA3 (1.00) ADORA2AADORA3ADORA1ADORA2B

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
EP-3481836-B1 NOVEL THIAZOLO[5,4-D]PYRIMIDINE DERIVATIVES AS INVERSE AGONISTS OF A2A ADENOSINE RECEPTORS UNIV DEGLI STUDI DI FIRENZE (IT) 2020-12-09 EP disclosed
US-20200308192-A1 NOVEL THIAZOLO[5,4-D]PYRIMIDINE DERIVATIVES AS INVERSE AGONISTS OF A2A ADENOSINE RECEPTORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2020-10-01 US disclosed
US-20200308192-A1 NOVEL THIAZOLO[5,4-D]PYRIMIDINE DERIVATIVES AS INVERSE AGONISTS OF A2A ADENOSINE RECEPTORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2020-10-01 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-20200308192-A1 NOVEL THIAZOLO[5,4-D]PYRIMIDINE DERIVATIVES AS INVERSE AGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA1 4/4885

“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.