SCHEMBL3297601

SCHEMBL3297601

CS(=O)(=O)OCCc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.62
ADORA1 P30542 17/20 0.62
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL3295339 0.82 ADORA2A (0.72) ADORA2AADORA1ADORA3
SCHEMBL13389547 0.81 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL3297785 0.81 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL3307751 0.80 ADORA2A (0.82) ADORA2AADORA1ADORA3
SCHEMBL3302826 0.77 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3298143 0.77 ADORA2A (0.67) ADORA2AADORA1ADORA3
SCHEMBL3301311 0.76 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3303639 0.76 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3306497 0.76 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL2305928 0.75 ADORA1 (1.00) ADORA2AADORA1

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
WO-2010045016-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885ADORA3 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.