SCHEMBL2850837

SCHEMBL2850837

CNC(CCCNc1ccc(F)cc1F)CCn1ccc2c1nc(N)n1nc(-c3ccco3)nc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.49
HDAC1 Q13547 3/20 0.49
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2B P29275 1/20 0.42
ADA P00813 1/20 0.42

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
SCHEMBL2847280 0.95 ADORA2A (0.50) ADORA2AHDAC1ADORA3ADORA1ADORA2B
SCHEMBL2848487 0.91 ADORA2A (0.50) ADORA2AHDAC1ADA
SCHEMBL2846190 0.88 ADORA2A (0.56) ADORA2AHDAC1ADORA3ADORA1ADORA2B
SCHEMBL13321511 0.87 ADORA2A (0.52) ADORA2AHDAC1ADORA3ADORA1ADA
SCHEMBL2848249 0.87 ADORA2A (0.49) ADORA2AHDAC1ADORA3ADORA1ADORA2B
SCHEMBL8152568 0.86 ADORA2A (0.49) ADORA2AHDAC1ADORA3ADORA1
SCHEMBL2847263 0.85 ADORA2A (0.49) ADORA2AHDAC1ADORA3ADORA1
SCHEMBL4378518 0.84 ADORA2A (0.48) ADORA2AHDAC1ADORA3ADORA1ADORA2B
SCHEMBL8149397 0.83 ADORA2A (0.49) ADORA2AHDAC1ADORA3ADORA1ADORA2B
SCHEMBL2853601 0.77 ADORA2A (0.61) 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 8 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 claimed
EP-2129220-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2009-12-09 EP claimed
WO-2008121748-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT,INC. (US) 2008-10-09 WO claimed
US-20080242673-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 1/4885HDAC1 4098/4885ADORA3 4/4885
US-20080242673-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885HDAC1 4098/4885ADORA3 4/4885

“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.