SCHEMBL2555844

SCHEMBL2555844

COCC1CCCN1c1nc(-n2cccn2)nc(N)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA1 P30542 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2B P29275 1/20 0.54
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL2555841 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2550785 0.89 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2550783 0.89 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2556664 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL27887643 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2555110 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL27887645 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2555106 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL27904499 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2548740 0.82 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BPDE10A

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-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US claimed
CN-102892761-A 4 - aminopyrimidine derivatives and their as as adenosine a2a receptor antagonists PALOBIOFARMA SL 2013-01-23 CN claimed
EP-2552909-B1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2015-03-11 EP 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
CN-102892761-A 4 - aminopyrimidine derivatives and their as as adenosine a2a receptor antagonists PALOBIOFARMA SL 2013-01-23 CN 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 1/4885ADORA1 2/4885ADORA3 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.