SCHEMBL3300008

SCHEMBL3300008

Nc1nc(-c2ncco2)nc2sc(CCN3CCOCC3)cc12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.80
ADORA1 P30542 17/20 0.80

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
SCHEMBL2301547 0.89 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3300633 0.80 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL3300030 0.77 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL13389432 0.76 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL3306497 0.76 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL3300639 0.76 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL3348820 0.76 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL3302440 0.76 ADORA2A (0.56) ADORA2AADORA1
Hydrochloric Acid SCHEMBL3348889 0.72 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL2306543 0.71 ADORA2A (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 5 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
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
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 4/4885

“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.