SCHEMBL1883908

SCHEMBL1883908

Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(cccc1-c1cnn(CCN3CCOCC3)c1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.70
ADORA1 P30542 17/20 0.70
ADORA2B P29275 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL12659809 0.91 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3HRH3
SCHEMBL1878647 0.83 ADORA2A (0.76) ADORA2AADORA1ADORA2BADORA3HRH3
SCHEMBL1882604 0.82 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL1891524 0.77 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL1883877 0.76 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL1877251 0.74 ADORA2A (0.58) ADORA2AADORA1ADORA2BHRH3
SCHEMBL12660103 0.74 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL12636237 0.74 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL1882427 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3HRH3
SCHEMBL1880042 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA2BHRH3

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
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105494-A1 HETEROARYL 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-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885ADORA2B 3/4885

“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.