SCHEMBL14717394

SCHEMBL14717394

Cc1cnn(-c2nc(N)c(Br)c(NC3CCC3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.63
PDE10A Q9Y233 11/20 0.50
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL14672677 0.98 ADORA2A (0.63) ADORA2APDE10AKDM4EMAPTMAPK1
SCHEMBL14672678 0.95 ADORA2A (0.62) ADORA2APDE10AKDM4EMAPTMAPK1
SCHEMBL2573914 0.80 ADORA2A (0.62) ADORA2APDE10AEGLN1
SCHEMBL2548559 0.79 ADORA2A (0.43) ADORA2APDE10AEGLN1
SCHEMBL14672452 0.78 ADORA2A (1.00) ADORA2APDE10A
SCHEMBL2548172 0.75 ADORA2A (1.00) ADORA2APDE10A
SCHEMBL2547017 0.73 ADORA2A (0.53) ADORA2APDE10AKDM4EMAPTMAPK1
SCHEMBL2556805 0.72 EGLN1 (0.44) ADORA2APDE10AKDM4EMAPTMAPK1
SCHEMBL2546203 0.72 ADORA2A (0.60) ADORA2APDE10AKDM4EMAPTMAPK1
SCHEMBL14672350 0.72 ADORA2A (1.00) ADORA2APDE10A

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 3 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
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

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 506/4885KDM4E 582/4885

“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.