SCHEMBL2550832

SCHEMBL2550832

Brc1c(NC2CCC2)nc(-n2cccn2)nc1-n1cccn1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.77
ADORA3 P0DMS8 2/20 0.55
ADORA1 P30542 2/20 0.55
ADORA2B P29275 1/20 0.55
PDE10A Q9Y233 1/20 0.38
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL14672452 0.87 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL2548172 0.85 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL14672350 0.82 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL2547010 0.78 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL4911813 0.75 ADORA2A (0.60) ADORA2AADORA3
SCHEMBL2553235 0.75 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL2550044 0.73 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL2556703 0.72 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2546268 0.72 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BPDE10A
SCHEMBL2555450 0.72 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BPDE10A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US claimed
EP-2552909-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2013-02-06 EP claimed
WO-2011121418-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2011-10-06 WO claimed
EP-2552909-B1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2015-03-11 EP disclosed
CN-102892761-B 4 - aminopyrimidine derivatives and their as as adenosine a2a receptor antagonists PALOBIOFARMA SL 2015-02-04 CN disclosed
US-8796284-B2 4-aminopyrimidine derivatives and their as as adenosine A2a receptor antagonists PALOBIOFARMA, S.L. (ES) 2014-08-05 US disclosed
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US disclosed
EP-2552909-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2013-02-06 EP disclosed
WO-2011121418-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2011-10-06 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-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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.