SCHEMBL6133517

SCHEMBL6133517

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.38
ADORA1 P30542 10/20 0.38
DHFR P00374 3/20 0.38
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
CMKLR1 Q99788 1/20 0.35
POLB P06746 1/20 0.35
NR1I2 O75469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
AGTR1 P30556 1/20 0.35
PTGIR P43119 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGDR Q13258 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL6133415 0.94 ALDH1A1 (0.39) ADORA2AADORA1TP53ADORA3
SCHEMBL6134002 0.93 ADORA2A (0.37) ADORA2AADORA1TP53ADORA3
SCHEMBL6133311 0.92 ADORA2A (0.38) ADORA2AADORA1TP53
SCHEMBL6133849 0.91 ADORA2A (0.38) ADORA2AADORA1POLB
SCHEMBL6133398 0.91 RECQL (0.39) ADORA2AADORA1TP53
SCHEMBL6133677 0.89 ADORA2A (0.40) ADORA2AADORA1TP53ADORA3
SCHEMBL6133772 0.89 ADORA2A (0.40) ADORA2AADORA1ADORA3
SCHEMBL6133969 0.87 MGMT (0.41) ADORA2AADORA1DHFRCMKLR1
SCHEMBL6135151 0.87 ADORA2A (0.40) ADORA2AADORA1ADORA3
SCHEMBL6134581 0.87 ADORA2A (0.40) ADORA2AADORA1ADORA3

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 3/4885DHFR 146/4885

“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.