SCHEMBL4052887

SCHEMBL4052887

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 1.00
ADORA1 P30542 13/20 1.00
ADORA3 P0DMS8 9/20 1.00
ADORA2A P29274 5/20 0.66
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4231343 0.92 ADORA2B (0.89) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4058924 0.91 ADORA2B (0.83) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4052920 0.91 ADORA2B (0.82) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4239344 0.90 ADORA2B (0.82) ADORA2BADORA1ADORA3ADORA2AALDH1A1
SCHEMBL4061327 0.89 ADORA2B (0.79) ADORA2BADORA1ADORA3ADORA2AALDH1A1
SCHEMBL4054784 0.88 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4058225 0.88 ADORA2B (0.88) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4715274 0.88 ADORA2B (0.78) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4056804 0.87 ADORA2B (0.77) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4056571 0.86 ADORA2B (1.00) ADORA2BADORA1ADORA3ADORA2AGAA

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.