SCHEMBL6528086

SCHEMBL6528086

COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 1.00
ADORA2A P29274 17/20 1.00
ADORA1 P30542 3/20 0.78
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL6526373 0.88 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6508949 0.85 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6689722 0.85 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6508037 0.81 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6534038 0.81 ADORA2B (0.86) ADORA2BADORA2AADORA1
SCHEMBL6507101 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6510950 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6510226 0.79 ADORA2B (0.89) ADORA2BADORA2AADORA1
SCHEMBL6510150 0.77 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL6534030 0.75 ADORA2B (1.00) ADORA2BADORA2AADORA1

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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 ADORA2B 4/4885ADORA2A 2/4885ADORA1 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.