SCHEMBL6134030

SCHEMBL6134030

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.43
ADORA2A P29274 10/20 0.42
ADORA1 P30542 9/20 0.42
IRAK4 Q9NWZ3 1/20 0.38
KAT2B Q92831 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 3/20 0.36
ACP1 P24666 1/20 0.36
TOP1 P11387 1/20 0.36

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
SCHEMBL6134076 0.89 TLR8 (0.42) ADORA2AADORA1TLR8
SCHEMBL6134039 0.89 TLR8 (0.42) CALCAADORA2AADORA1TLR8
SCHEMBL6134709 0.89 ADORA2A (0.38) CALCAADORA2AADORA1TLR8
SCHEMBL6133911 0.87 NLRP3 (0.45) ADORA2AADORA1TLR8
SCHEMBL6134535 0.87 TLR8 (0.41) ADORA2AADORA1TLR8
SCHEMBL6133674 0.86 KDM4E (0.38) ADORA2AADORA1
SCHEMBL6133703 0.85 GHSR (0.41) ADORA2AADORA1
SCHEMBL6135237 0.84 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL5149145 0.84 CALCA (0.39) CALCAKAT2BTLR9ACP1
SCHEMBL6134892 0.84 TP53 (0.39) 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 CALCA 4290/4885ADORA2A 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.