SCHEMBL6134892

SCHEMBL6134892

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ADORA2A P29274 11/20 0.37
ADORA1 P30542 10/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RET P07949 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IKBKB O14920 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6133911 0.88 NLRP3 (0.45) TP53ADORA2AADORA1POLB
SCHEMBL6134709 0.87 ADORA2A (0.38) TP53ADORA2AADORA1POLBKDM4E
SCHEMBL6134076 0.86 TLR8 (0.42) TP53ADORA2AADORA1
SCHEMBL6134039 0.86 TLR8 (0.42) TP53ADORA2AADORA1POLB
SCHEMBL6133703 0.86 GHSR (0.41) TP53ADORA2AADORA1
SCHEMBL6135237 0.85 ADORA2A (0.42) TP53ADORA2AADORA1POLB
SCHEMBL6133674 0.85 KDM4E (0.38) TP53ADORA2AADORA1POLBKDM4E
SCHEMBL6133438 0.84 TP53 (0.40) TP53ADORA2AADORA1POLBRET
SCHEMBL6133705 0.84 ADORA2A (0.41) TP53ADORA2AADORA1POLB
SCHEMBL6134535 0.84 TLR8 (0.41) TP53ADORA2AADORA1POLBKDM4E

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 TP53 2834/4885ADORA2A 2/4885ADORA1 3/4885

“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.