SCHEMBL1881399

SCHEMBL1881399

Cc1nc(-c2ccccc2)sc1-c1cccc2c1-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.50
ADORA1 P30542 18/20 0.50
PTGS2 P35354 1/20 0.46
ALOX5 P09917 1/20 0.40

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
SCHEMBL12659853 0.94 ADORA2A (0.50) ADORA2AADORA1PTGS2
SCHEMBL1885590 0.94 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL12659818 0.92 ADORA2A (0.51) ADORA2AADORA1ALOX5
SCHEMBL1887563 0.91 ADORA2A (0.47) ADORA2AADORA1PTGS2
SCHEMBL12659812 0.89 ADORA2A (0.45) ADORA2AADORA1ALOX5
SCHEMBL6857591 0.84 ADORA1 (0.65) ADORA2AADORA1
SCHEMBL1882224 0.79 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL1881060 0.79 ADORA1 (0.57) ADORA2AADORA1
SCHEMBL1880456 0.77 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL1881088 0.76 ADORA2A (0.77) 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
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 4/4885PTGS2 1826/4885

“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.