SCHEMBL4057284

SCHEMBL4057284

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.63
ADORA3 P0DMS8 8/20 0.59
ADORA1 P30542 8/20 0.59
ADORA2A P29274 6/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4236244 0.94 ADORA2B (0.56) ADORA2BADORA3ADORA1ADORA2AMEN1
SCHEMBL4056796 0.93 ADORA2B (0.61) ADORA2BADORA3ADORA1ADORA2AMEN1
SCHEMBL4052288 0.90 ADORA2B (0.75) ADORA2BADORA3ADORA1ADORA2AMEN1
SCHEMBL4056787 0.87 ADORA2B (0.62) ADORA2BADORA3ADORA1ADORA2AMEN1
SCHEMBL4053967 0.82 ADORA2B (0.83) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL4054170 0.82 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL4050812 0.81 ADORA2B (0.82) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL4057775 0.81 ADORA2B (0.64) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL4057329 0.80 ADORA2B (0.71) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL4059415 0.80 ADORA2B (0.79) ADORA2BADORA3ADORA1ADORA2A

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-7504398-B2 potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation LABORATORIOS ALMIRALL S.A. (ES) 2009-03-17 US disclosed
EP-1492793-B1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL LAB (ES) 2008-01-16 EP disclosed
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 1/4885ADORA3 3/4885ADORA1 4/4885

“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.