SCHEMBL4054717

SCHEMBL4054717

CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 1.00
ADORA1 P30542 7/20 0.71
ADORA3 P0DMS8 6/20 0.71
ADORA2A P29274 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL4050908 0.95 ADORA2B (0.90) ADORA2BADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL4060131 0.91 ADORA2B (0.83) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4225728 0.91 ADORA2B (0.83) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4051837 0.87 ADORA2B (0.77) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4060045 0.86 ADORA2B (0.76) ADORA2BADORA1ADORA3ADORA2AHTR2A
SCHEMBL4059576 0.84 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL4057447 0.83 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4232776 0.82 ADORA2B (0.69) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4052195 0.81 ADORA2B (0.90) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4054171 0.80 ADORA2B (0.93) 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 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 1/4885ADORA1 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.