SCHEMBL6158129

SCHEMBL6158129

CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(CCC)c1=O

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.85
ADORA1 P30542 9/20 0.85
ADORA3 P0DMS8 8/20 0.85
ADORA2A P29274 12/20 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
SCHEMBL4051648 0.95 ADORA2B (0.79) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4235347 0.95 ADORA2B (0.79) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4051706 0.92 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4049629 0.92 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4054313 0.88 ADORA2B (0.78) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4047846 0.88 ADORA2B (0.91) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4065788 0.87 ADORA2B (0.84) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4237457 0.87 ADORA2B (0.89) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4058804 0.87 ADORA2B (0.89) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4054164 0.85 ADORA2B (0.78) ADORA2BADORA1ADORA3ADORA2A

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-20050261248-A1 New-4-pyrrolopyrimidin-6-YL)benzenesulphonamide derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2005-11-24 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-20050261248-A1 New-4-pyrrolopyrimidin-6-YL)benzenesulphonamide derivatives ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA3 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.