SCHEMBL6506945

SCHEMBL6506945

Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccn4)cc3)cc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 1.00
ADORA2A P29274 17/20 1.00
ADORA1 P30542 7/20 0.75
ADORA3 P0DMS8 6/20 0.75

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
SCHEMBL6505830 0.87 ADORA2B (0.77) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6506495 0.86 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6503888 0.83 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6511135 0.82 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6511042 0.81 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6505008 0.80 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6502133 0.76 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4058221 0.76 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6505442 0.73 ADORA2B (0.77) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6510150 0.73 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 US disclosed
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 (2 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
US-20050192339-A1 Compounds MCHR1, HCRTR1, NPY1R ADORA2B 205/4885ADORA2A 228/4885ADORA1 61/4885

“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.