Sugi Predict

Sugi Predict / Compounds / SCHEMBL4052502

SCHEMBL4052502

SCHEMBL4052502

CC(C)Oc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 18/20 0.64
▸ ADORA1 P30542 12/20 0.64
▸ ADORA2A P29274 10/20 0.64
▸ ADORA3 P0DMS8 3/20 0.40
▸ MAP4K4 O95819 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MAP3K20 Q9NYL2 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ PTPN7 P35236 1/20 0.33

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
SCHEMBL4051221 0.88 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4056139 0.86 ADORA2B (0.65) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4057399 0.82 ADORA2A (0.65) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4050026 0.80 ADORA2B (0.59) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4054613 0.80 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4048696 0.78 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4056111 0.78 ADORA2B (0.65) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL4049255 0.75 ADORA2A (0.64) ADORA2BADORA1ADORA2A
SCHEMBL2930866 0.65 PDE4B (0.45) ADORA2BADORA1ADORA2A
SCHEMBL21797107 0.64 MKNK1 (0.38) ALDH1A1RAB9A

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 6 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 claimed
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.