SCHEMBL3301297

SCHEMBL3301297

Nc1nc(-c2cnco2)nc2sc(Cc3cnccn3)cc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.66
ADORA2A P29274 19/20 0.66

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
SCHEMBL3306494 0.87 ADORA2A (0.73) ADORA1ADORA2A
SCHEMBL3302309 0.83 ADORA2A (0.65) ADORA1ADORA2A
SCHEMBL3302133 0.82 ADORA2A (0.66) ADORA1ADORA2A
SCHEMBL3302454 0.81 ADORA2A (0.67) ADORA1ADORA2A
SCHEMBL3304007 0.80 ADORA1 (1.00) ADORA1ADORA2A
SCHEMBL3299673 0.78 ADORA2A (0.64) ADORA1ADORA2A
Hydrochloric Acid SCHEMBL3344167 0.77 ADORA2A (0.62) ADORA1ADORA2A
SCHEMBL13391644 0.77 ADORA2A (0.56) ADORA1ADORA2A
SCHEMBL3301761 0.75 ADORA2A (0.70) ADORA1ADORA2A
SCHEMBL3304186 0.70 ADORA2A (1.00) ADORA1ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093756-A1 HETEROARYL 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-20100093756-A1 HETEROARYL 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-20100093756-A1 HETEROARYL 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-20100093756-A1 HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA1 4/4885ADORA2A 1/4885

“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.