Sugi Predict

Sugi Predict / Compounds / SCHEMBL4056111

SCHEMBL4056111

SCHEMBL4056111

CS(=O)(=O)c1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 17/20 0.65
▸ ADORA1 P30542 12/20 0.65
▸ ADORA2A P29274 9/20 0.65
▸ ADORA3 P0DMS8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ MAP4K4 O95819 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL4054613 0.81 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL4051221 0.81 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL4048696 0.79 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4057399 0.79 ADORA2A (0.65) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4056139 0.79 ADORA2B (0.65) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4052502 0.78 ADORA2B (0.64) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1384726 0.77 TGFBR1 (0.41) ADORA2BADORA1ADORA2ATP53HPGD
SCHEMBL21621272 0.76 ALDH1A1 (0.58) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL30107948 0.76 ALDH1A1 (0.58) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL4049255 0.76 ADORA2A (0.64) ADORA2BADORA1ADORA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 — — US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 — — US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 — — US disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 — — EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 — — WO 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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885

“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.