SCHEMBL6133677

SCHEMBL6133677

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.40
ADORA1 P30542 16/20 0.40
ADORA2B P29275 5/20 0.37
HRH3 Q9Y5N1 5/20 0.37
ADORA3 P0DMS8 4/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL6134826 0.93 ADORA2A (0.39) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6134581 0.92 ADORA2A (0.40) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6135151 0.92 ADORA2A (0.40) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6134659 0.91 ADORA2A (0.39) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6133772 0.90 ADORA2A (0.40) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6133450 0.89 ADORA2A (0.52) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6133415 0.89 ALDH1A1 (0.39) ADORA2AADORA1ADORA3TP53
SCHEMBL6133517 0.89 ADORA2A (0.38) ADORA2AADORA1ADORA3TP53
SCHEMBL6134002 0.88 ADORA2A (0.37) ADORA2AADORA1ADORA2BHRH3ADORA3
SCHEMBL6133969 0.88 MGMT (0.41) ADORA2AADORA1LMNA

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.