SCHEMBL2853617

SCHEMBL2853617

Nc1nc2c(ccn2CCN2CCN(c3ccc(Cl)cc3F)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.76
ADORA1 P30542 1/20 0.53

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
SCHEMBL2854564 0.93 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL2844881 0.92 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL2845879 0.90 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL2852856 0.90 ADORA2A (0.75) ADORA2A
SCHEMBL2850925 0.89 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL2847350 0.89 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL2847680 0.89 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL2849353 0.88 ADORA2A (0.74) ADORA2AADORA1
SCHEMBL2845096 0.87 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL2845000 0.87 ADORA2A (0.71) 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-7691869-B2 Pyrrolotriazolopyrimidine derivatives, pharmaceutical compositions containing them and methods of treating conditions and diseases mediated by the adenosine A2A receptor activity KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-04-06 US claimed
US-20080242672-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-10-02 US claimed
US-7723343-B2 Adenosine A2A receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-05-25 US disclosed
US-7691869-B2 Pyrrolotriazolopyrimidine derivatives, pharmaceutical compositions containing them and methods of treating conditions and diseases mediated by the adenosine A2A receptor activity KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-04-06 US disclosed
US-20080242672-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-10-02 US disclosed
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-10-02 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 (2 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-20080242672-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 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.