SCHEMBL6133364

SCHEMBL6133364

CC(C)n1nc(-c2c(NCc3ccncc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.43
ADORA1 P30542 10/20 0.43
KLKB1 P03952 1/20 0.38
GHSR Q92847 2/20 0.37
NPR1 P16066 1/20 0.36
MAPK9 P45984 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAP4K4 O95819 2/20 0.36
CSNK1D P48730 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LYN P07948 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCI P41743 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK10 P53779 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
SCHEMBL6133703 0.94 GHSR (0.41) ADORA2AADORA1GHSRAPP
SCHEMBL6134404 0.90 ADORA2A (0.45) ADORA2AADORA1KLKB1NPR1
SCHEMBL6135229 0.88 APP (0.43) ADORA2AADORA1GHSRAPP
SCHEMBL6133911 0.86 NLRP3 (0.45) ADORA2AADORA1
SCHEMBL6133960 0.86 ADORA2A (0.47) ADORA2AADORA1NPR1
SCHEMBL6134076 0.85 TLR8 (0.42) ADORA2AADORA1GHSRAPP
SCHEMBL6134039 0.85 TLR8 (0.42) ADORA2AADORA1
SCHEMBL6134709 0.84 ADORA2A (0.38) ADORA2AADORA1GHSR
SCHEMBL6134008 0.84 ADORA2A (0.47) ADORA2AADORA1
SCHEMBL6135237 0.83 ADORA2A (0.42) ADORA2AADORA1

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 2/4885ADORA1 3/4885KLKB1 4761/4885

“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.