SCHEMBL2548979

SCHEMBL2548979

Cc1cnn(-c2nc(-n3cc(Cl)cn3)nc(N)c2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.47
PDE10A Q9Y233 6/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDO2 P48775 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2547017 0.92 ADORA2A (0.53) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2545611 0.92 ADORA2A (0.53) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2576944 0.81 KMT2A (0.45) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2545026 0.80 ADORA2A (0.72) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2546449 0.80 ADORA2A (0.73) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2551007 0.80 ADORA2A (0.72) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2546132 0.80 ADORA2A (0.73) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2546203 0.78 ADORA2A (0.60) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2572030 0.78 ADORA2A (0.60) ADORA2APDE10AADORA3ADORA2BADORA1
SCHEMBL2552620 0.78 PDE10A (0.45) ADORA2APDE10AADORA3ADORA2BADORA1

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 10 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
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
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 1/4885PDE10A 506/4885ADORA3 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.