SCHEMBL2847657

SCHEMBL2847657

Nc1nc(NNC(=O)c2ccco2)c2ccn(CCN3CCN(c4ccc(F)cc4F)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.46
ADA P00813 5/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL2847129 0.88 ADORA2A (0.41) ADORA2A
SCHEMBL2849515 0.79 ADA (0.41) ADORA2AADAADORA1
SCHEMBL2852875 0.77 ADORA2A (0.47) ADORA2A
SCHEMBL14922351 0.75 ADORA2A (0.48) ADORA2A
SCHEMBL2854622 0.73 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL14922349 0.73 ADORA2A (0.48) ADORA2A
SCHEMBL8436488 0.73 ADORA2A (0.51) ADORA2A
SCHEMBL2844881 0.73 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL2846026 0.72 ADA (0.51) ADA
SCHEMBL14922353 0.70 ADORA2A (0.49) ADORA2A

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-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
EP-2129220-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2009-12-09 EP disclosed
WO-2008121748-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT,INC. (US) 2008-10-09 WO 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 1/4885ADA 44/4885ADORA1 3/4885
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADA 44/4885ADORA1 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.