SCHEMBL4239344

SCHEMBL4239344

CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)cc2n(CC)c1=O

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.82
ADORA1 P30542 13/20 0.82
ADORA3 P0DMS8 12/20 0.82
ADORA2A P29274 5/20 0.60
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4052920 0.92 ADORA2B (0.82) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4059535 0.92 ADORA2B (0.74) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4058551 0.91 ADORA2B (0.76) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4052887 0.90 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2AALDH1A1
SCHEMBL4061327 0.89 ADORA2B (0.79) ADORA2BADORA1ADORA3ADORA2AALDH1A1
SCHEMBL4059819 0.88 ADORA2B (0.83) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4059917 0.88 ADORA2B (0.75) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4057579 0.87 ADORA2B (0.75) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4058924 0.87 ADORA2B (0.83) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4712916 0.87 ADORA2B (0.75) 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.