SCHEMBL8212757

SCHEMBL8212757

Nc1nc2ccccc2c2nn(Cc3cccc(C(F)(F)F)c3)c(=O)n12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.49
▸ APP P05067 2/20 0.48
▸ PTGER4 P35408 2/20 0.47
▸ ADORA1 P30542 2/20 0.45
▸ ABHD6 Q9BV23 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ THRB P10828 1/20 0.42

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
SCHEMBL8225409 0.88 ADORA2A (0.52) ADORA2AAPPPTGER4ADORA1
SCHEMBL8217490 0.86 ADORA2A (0.52) ADORA2AAPPPTGER4ADORA1MAPT
SCHEMBL13368130 0.86 ADORA2A (0.53) ADORA2AADORA1ABHD6
SCHEMBL8221822 0.85 ADORA2A (0.63) ADORA2AADORA1LMNA
SCHEMBL8220368 0.84 ADORA2A (0.52) ADORA2AAPPADORA1TP53MAPT
SCHEMBL8223855 0.84 ADORA2A (0.64) ADORA2AAPPADORA1MAPT
SCHEMBL8226536 0.81 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL8221513 0.81 ADORA2A (0.49) ADORA2AADORA1LMNA
SCHEMBL8221511 0.81 ADORA2A (0.54) ADORA2AAPPPTGER4ADORA1MAPT
SCHEMBL8217493 0.80 ADORA2A (0.54) ADORA2AAPPPTGER4ADORA1TP53

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-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 — — US disclosed
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 — — US disclosed
EP-2038285-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-02-17 — — EP disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 — — US disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 — — US disclosed
WO-2008002596-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2008-01-03 — — 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-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885APP 1844/4885PTGER4 865/4885

“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.

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