Sugi Predict

Sugi Predict / Compounds / SCHEMBL4051218

SCHEMBL4051218

SCHEMBL4051218

O=C(O)c1cc(-c2ccncn2)c(-c2ccco2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 17/20 0.51
▸ ADORA1 P30542 12/20 0.51
▸ ADORA2A P29274 10/20 0.51
▸ ADORA3 P0DMS8 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL4052491 0.90 ADORA2B (0.50) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4049264 0.80 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL10989508 0.76 GAA (0.49) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL4054928 0.76 ADORA2B (0.57) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4054625 0.76 ADORA2B (0.56) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL10810098 0.69 PDE3B (0.60) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL1445253 0.69 MAPK1 (0.53) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL30463614 0.69 MAPK1 (0.53) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL28135936 0.68 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3KDM4E
SCHEMBL4054521 0.67 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3MAP4K4

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.