SCHEMBL2576944

SCHEMBL2576944

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA2A P29274 10/20 0.43
PDE10A Q9Y233 6/20 0.41
TDO2 P48775 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2552620 0.84 PDE10A (0.45) KMT2AKDM4EADORA2APDE10AADORA3
SCHEMBL2547017 0.83 ADORA2A (0.53) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL2548979 0.81 ADORA2A (0.47) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL2546132 0.77 ADORA2A (0.73) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL15904056 0.77 PDE10A (0.57) KMT2AKDM4EMAPTMAPK1NPSR1
SCHEMBL15904271 0.77 PDE10A (0.48) KMT2AKDM4EMAPTL3MBTL1ADORA2A
SCHEMBL2546203 0.76 ADORA2A (0.60) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL15904208 0.76 PDE10A (0.50) KMT2AADORA2APDE10AADORA3ADORA2B
SCHEMBL15904017 0.76 ADORA2A (0.49) KMT2ANPSR1ADORA2APDE10AADORA3
SCHEMBL2545026 0.75 ADORA2A (0.72) KDM4EMAPTMAPK1NPSR1L3MBTL1

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 5 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
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 KMT2A 1114/4885KDM4E 582/4885MAPT 4753/4885

“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.