SCHEMBL6134042

SCHEMBL6134042

Cn1nc(-c2cnc(N)nc2-c2ccccc2Br)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
CLK1 P49759 6/20 0.38
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR1 P11362 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
SCHEMBL6133988 0.87 ADORA2A (0.40) ADORA2AADORA2BADORA1CDK5CDK5R1
SCHEMBL6134686 0.86 GFER (0.43) ADORA2AADORA2BADORA1MAPTKMT2A
SCHEMBL6133826 0.85 CLK1 (0.36) ADORA2AADORA2BADORA1CLK1CDK5
SCHEMBL6133471 0.84 ADORA1 (0.50) ADORA2AADORA2BADORA1KMT2A
SCHEMBL6134495 0.84 ADORA2A (0.48) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL6134279 0.82 CLK1 (0.34) ADORA2AADORA2BADORA1CLK1CDK5
SCHEMBL6134537 0.78 RPS6KA3 (0.48) ADORA2AADORA2BADORA1KMT2A
SCHEMBL6133620 0.78 ADORA1 (0.52) ADORA2AADORA2BADORA1MEN1MAPT
SCHEMBL6134282 0.78 ADORA2A (0.43) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL6134083 0.78 ADORA2A (0.65) ADORA2AADORA2BADORA1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.