SCHEMBL8221012

SCHEMBL8221012

Nc1nc2ccccc2c2nn(Cc3cc(Cl)ccc3F)c(=O)n12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 0.46
▸ ADORA1 P30542 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90B1 P14625 1/20 0.41
▸ TRAP1 Q12931 1/20 0.41
▸ HPRT1 P00492 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8220814 0.90 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL8221499 0.88 NPSR1 (0.48) ADORA2AADORA1
SCHEMBL8224052 0.88 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL13341587 0.88 ADORA2A (0.47) ADORA2AADORA1
SCHEMBL8221845 0.84 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL8224064 0.84 ADORA2A (0.49) ADORA2AADORA1TRAP1
SCHEMBL8224740 0.83 TNF (0.51) ADORA2AADORA1
SCHEMBL8224060 0.83 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL8223855 0.83 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL8223871 0.82 ADORA2A (0.53) ADORA2AADORA1

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 2/4885ADORA1 3/4885HSP90AA1 3611/4885

“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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