SCHEMBL6134738

SCHEMBL6134738

CC(C)n1nc(-c2cnc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 3/20 0.39
TP53 P04637 1/20 0.38
TMIGD3 P0DMS9 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MERTK Q12866 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL6133995 0.94 TP53 (0.38) ADORA3ADORA1ADORA2ATP53POLB
SCHEMBL6134200 0.93 POLB (0.39) ADORA3ADORA1ADORA2ATP53POLB
SCHEMBL6134384 0.93 KMT2A (0.40) ADORA3ADORA1ADORA2ATP53MEN1
SCHEMBL6135302 0.92 ALDH1A1 (0.37) ADORA3ADORA1ADORA2ATP53TMIGD3
SCHEMBL6134844 0.91 TP53 (0.36) TP53
SCHEMBL6133753 0.91 TP53 (0.38) ADORA2ATP53POLBKMT2AHSD11B1
SCHEMBL6133485 0.85 ALDH1A1 (0.44) TP53POLBMEN1KMT2AKDM4E
SCHEMBL6134310 0.82 GAA (0.45) ADORA3ADORA1ADORA2ATP53KDM4E
SCHEMBL6134324 0.79 ADORA1 (0.47) ADORA1ADORA2AKMT2A
SCHEMBL6133749 0.78 TP53 (0.44) ADORA3ADORA1TP53POLBKDM4E

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 ADORA3 4/4885ADORA1 3/4885ADORA2A 2/4885

“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.