SCHEMBL8259889

SCHEMBL8259889

COCC1COc2ccc(C)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
FFAR1 O14842 4/20 0.48
GAA P10253 1/20 0.44
MTNR1A P48039 1/20 0.42
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
AURKA O14965 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 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
SCHEMBL13450820 0.83 FFAR1 (0.50) CA2FFAR1GAAMTNR1AGSK3A
SCHEMBL5937114 0.83 CHRNB4 (0.46) CA2FFAR1GAAMTNR1AGSK3A
SCHEMBL19776224 0.82 CA2 (0.54) CA2FFAR1GAAMTNR1AL3MBTL1
SCHEMBL19776040 0.82 CA2 (0.54) CA2FFAR1GAAMTNR1AL3MBTL1
SCHEMBL8282396 0.82 CA2 (0.59) CA2FFAR1GAARAB9ALMNA
SCHEMBL11027482 0.81 CA2 (0.58) CA2FFAR1GAARAB9ALMNA
SCHEMBL6984007 0.81 CA2 (0.58) CA2FFAR1GAAMTNR1ARAB9A
SCHEMBL29444746 0.81 CA2 (0.58) CA2FFAR1GAAMTNR1ARAB9A
SCHEMBL17272701 0.81 CA2 (0.58) CA2FFAR1GAARAB9ALMNA
SCHEMBL29481813 0.81 CA2 (0.58) CA2FFAR1GAAMTNR1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CA2 1733/4885FFAR1 114/4885GAA 2125/4885

“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.