SCHEMBL4052706

SCHEMBL4052706

CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccncc4)cc3)cc2n(CC)c1=O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.73
ADORA1 P30542 7/20 0.73
ADORA3 P0DMS8 6/20 0.73
HTT P42858 5/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 2/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4056982 0.91 ADORA2B (0.65) ADORA2BADORA1ADORA3HTTLMNA
SCHEMBL4229255 0.89 ADORA2B (0.72) ADORA2BADORA1ADORA3KMT2ATSHR
SCHEMBL4059617 0.86 ADORA2B (0.75) ADORA2BADORA1ADORA3HTTLMNA
SCHEMBL4060758 0.86 ADORA2B (0.65) ADORA2BADORA1ADORA3HTTLMNA
SCHEMBL4054108 0.85 ADORA2B (0.69) ADORA2BADORA1ADORA3LMNAALDH1A1
SCHEMBL4053837 0.85 ADORA2B (0.73) ADORA2BADORA1ADORA3HTTLMNA
SCHEMBL4055136 0.85 ADORA2B (1.00) ADORA2BADORA1ADORA3SMN1; SMN2ADORA2A
SCHEMBL4055594 0.82 ADORA2B (0.64) ADORA2BADORA1ADORA3HTTLMNA
SCHEMBL4056734 0.80 ADORA2B (0.66) ADORA2BADORA1ADORA3MEN1KMT2A
SCHEMBL4056662 0.79 ADORA2B (0.84) ADORA2BADORA1ADORA3ALDH1A1KMT2A

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.