SCHEMBL2549963

SCHEMBL2549963

Clc1nc(-n2cccn2)nc(-n2cccn2)c1Br

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.71
ADORA3 P0DMS8 1/20 0.71
ADORA2B P29275 1/20 0.71
ADORA1 P30542 1/20 0.71
PDE10A Q9Y233 1/20 0.49
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL2551552 0.83 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL2546228 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL30487821 0.83 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL29421140 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL20576730 0.81 ADORA2A (0.97) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL30797908 0.81 ADORA2A (0.97) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL30797853 0.80 ADORA2A (0.94) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL30798032 0.80 ADORA2A (0.94) ADORA2AADORA3ADORA2BADORA1PDE10A
Pbf-509 SCHEMBL21980568 0.80 ADORA2A (0.94) ADORA2AADORA3ADORA2BADORA1PDE10A
SCHEMBL12280740 0.79 ADORA2A (0.59) 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 6 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 disclosed
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
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.