SCHEMBL6133634

SCHEMBL6133634

Cn1nc(-c2c(-c3ccccc3)nc(N)nc2S(C)(=O)=O)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA1 P30542 13/20 0.44
ADORA2B P29275 1/20 0.38
CDK8 P49336 2/20 0.38
ACVR1 Q04771 1/20 0.38
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6135100 0.85 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL6133959 0.80 ADORA2A (0.42) ADORA2AADORA1ADORA2BBRD4ALDH1A1
SCHEMBL6133623 0.80 ADORA2A (0.42) ADORA2AADORA1ADORA2BCDK8ACVR1
SCHEMBL5147910 0.80 CDK8 (0.38) ADORA2AADORA1ADORA2BCDK8ACVR1
SCHEMBL6135243 0.78 ADORA2A (0.40) ADORA2AADORA1ADORA2BKDRBRD4
SCHEMBL6134394 0.78 ADORA2A (0.40) ADORA2AADORA1ADORA2BCDK8ACVR1
SCHEMBL6133974 0.76 CDK1 (0.44) ADORA2AADORA1ADORA2BBRD4
SCHEMBL6133471 0.73 ADORA1 (0.50) ADORA2AADORA1ADORA2B
SCHEMBL6134701 0.72 ADORA2A (0.46) ADORA2AADORA1ADORA2BALDH1A1MAPT
SCHEMBL5147984 0.71 BRD4 (0.43) ADORA2AADORA1ADORA2BCDK8ACVR1

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 2 patents. 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
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.