SCHEMBL8224057

SCHEMBL8224057

Nc1nc2ccccc2c2nn(Cc3c(F)ccc(Cl)c3F)c(=O)n12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.45
▸ KMT2A Q03164 1/20 0.40
▸ ADORA1 P30542 2/20 0.39
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGER4 P35408 2/20 0.36
▸ HSP90B1 P14625 1/20 0.35
▸ TRAP1 Q12931 1/20 0.35

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
SCHEMBL13341595 0.87 ADORA2A (0.47) ADORA2AKMT2AADORA1TP53MAPT
SCHEMBL8217497 0.85 ADORA2A (0.49) ADORA2AKMT2AADORA1MAPT
SCHEMBL8224060 0.84 ADORA2A (0.45) ADORA2AADORA1MAPT
SCHEMBL8224064 0.83 ADORA2A (0.49) ADORA2AKMT2AADORA1PTGER4TRAP1
SCHEMBL8221012 0.82 ADORA2A (0.46) ADORA2AADORA1HSP90B1TRAP1
SCHEMBL8221845 0.81 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL8220814 0.81 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL8221822 0.81 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL8224740 0.80 TNF (0.51) ADORA2AKMT2AADORA1MAPT
SCHEMBL8217493 0.80 ADORA2A (0.54) ADORA2AADORA1TP53PTGER4

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 2/4885KMT2A 3780/4885ADORA1 3/4885

“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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