SCHEMBL8225409

SCHEMBL8225409

Nc1nc2ccccc2c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)n12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.52
▸ APP P05067 2/20 0.46
▸ PTGER4 P35408 5/20 0.45
▸ MAOB P27338 1/20 0.42
▸ CFTR P13569 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL8221822 0.88 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL8212757 0.88 ADORA2A (0.49) ADORA2AAPPPTGER4ADORA1
SCHEMBL8217493 0.87 ADORA2A (0.54) ADORA2AAPPPTGER4ADORA1
SCHEMBL8221845 0.86 ADORA2A (0.55) ADORA2AAPPADORA1
SCHEMBL13341606 0.82 KMT2A (0.54) ADORA2AADORA1
SCHEMBL8213435 0.82 ADORA2A (0.44) ADORA2A
SCHEMBL8226536 0.82 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL8223871 0.82 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL8224064 0.82 ADORA2A (0.49) ADORA2APTGER4ADORA1
SCHEMBL8223855 0.80 ADORA2A (0.64) ADORA2AAPPADORA1

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.

Send feedback