SCHEMBL1882604

SCHEMBL1882604

Cn1cc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)cn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.60
ADORA1 P30542 20/20 0.60

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
SCHEMBL12660103 0.86 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL1883908 0.82 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL6857591 0.81 ADORA1 (0.65) ADORA2AADORA1
SCHEMBL1882224 0.81 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL1891524 0.79 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL1880456 0.79 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL12660096 0.79 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL1881060 0.78 ADORA1 (0.57) ADORA2AADORA1
SCHEMBL1877439 0.78 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL1879453 0.77 ADORA2A (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105541-A1 ALKYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105541-A1 ALKYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE 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.