SCHEMBL13341587

SCHEMBL13341587

Nc1nc2ccccc2c2nn(Cc3ccccc3F)c(=O)n12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.47
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CHRM1 P11229 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ADORA1 P30542 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 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
SCHEMBL13341595 0.88 ADORA2A (0.47) ADORA2AKMT2AMAPTADORA1KDM4E
SCHEMBL8221012 0.88 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL8224740 0.86 TNF (0.51) ADORA2AMEN1KMT2AALDH1A1MAPT
SCHEMBL8224060 0.85 ADORA2A (0.45) ADORA2AMAPTADORA1
SCHEMBL8213435 0.85 ADORA2A (0.44) ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL8221822 0.84 ADORA2A (0.63) ADORA2AALDH1A1ADORA1
SCHEMBL8217493 0.83 ADORA2A (0.54) ADORA2AADORA1TP53
SCHEMBL8213449 0.83 ADORA2A (0.43) ADORA2AMEN1KMT2A
SCHEMBL8221183 0.83 ADORA2A (0.47) ADORA2AMAPTADORA1
SCHEMBL8226536 0.82 ADORA2A (0.51) 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 5 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

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 2/4885MEN1 4184/4885KMT2A 3780/4885

“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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