SCHEMBL6079917

SCHEMBL6079917

Cc1nc(-n2cccn2)nc(C)c1Br

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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

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
SCHEMBL23424154 0.81 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1MAPT
SCHEMBL28870957 0.79 HTT (0.62) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL2547816 0.78 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL961121 0.76 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL2550277 0.73 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL30487821 0.73 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1HTT
Pbf-509 SCHEMBL29421140 0.73 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL2551552 0.73 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1HTT
Pbf-509 SCHEMBL2546228 0.73 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1HTT
SCHEMBL2549963 0.73 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1HTT

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
US-20060058326-A1 Pyrimidines, methods for the production thereof, and use thereof BASF AKTIENGESLLSCHAFT (DE) 2006-03-16 US disclosed
EP-1592695-A1 PYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-11-09 EP disclosed
WO-2004069846-A1 PYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 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-20060058326-A1 Pyrimidines, methods for the production thereof, and use thereof CBR3, CBR1, C5 ADORA2A 838/4885ADORA3 477/4885ADORA2B 769/4885

“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.