SCHEMBL2548740

SCHEMBL2548740

C[C@@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.70
ADORA3 P0DMS8 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
PDE10A Q9Y233 1/20 0.43
SMPD3 Q9NY59 1/20 0.38

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
SCHEMBL2542194 1.00 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL27887643 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL27887645 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL27904499 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2555106 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2555110 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2556664 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2546289 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2555844 0.82 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL2555841 0.82 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552909-B1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2015-03-11 EP claimed
US-8796284-B2 4-aminopyrimidine derivatives and their as as adenosine A2a receptor antagonists PALOBIOFARMA, S.L. (ES) 2014-08-05 US claimed
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
CN-102892761-A 4 - aminopyrimidine derivatives and their as as adenosine a2a receptor antagonists PALOBIOFARMA SL 2013-01-23 CN 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
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 1/4885ADORA3 3/4885ADORA2B 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.