SCHEMBL6133311

SCHEMBL6133311

CC(C)n1nc(-c2c(OCC(=O)c3ccccc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.38
ADORA1 P30542 15/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6133517 0.92 ADORA2A (0.38) ADORA2AADORA1TP53
SCHEMBL6133415 0.92 ALDH1A1 (0.39) ADORA2AADORA1ALDH1A1TP53
SCHEMBL6134002 0.91 ADORA2A (0.37) ADORA2AADORA1TP53
SCHEMBL6133398 0.88 RECQL (0.39) ADORA2AADORA1TP53
SCHEMBL6133849 0.88 ADORA2A (0.38) ADORA2AADORA1ALDH1A1HPGD
SCHEMBL6133677 0.87 ADORA2A (0.40) ADORA2AADORA1TP53
SCHEMBL6133772 0.86 ADORA2A (0.40) ADORA2AADORA1ALDH1A1MAPTL3MBTL1
SCHEMBL6135151 0.85 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6133969 0.85 MGMT (0.41) ADORA2AADORA1ALDH1A1PKM
SCHEMBL6134581 0.85 ADORA2A (0.40) 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 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 3/4885ALDH1A1 801/4885

“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.