SCHEMBL6134039

SCHEMBL6134039

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.42
ADORA2A P29274 12/20 0.39
ADORA1 P30542 11/20 0.39
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
NLRP3 Q96P20 1/20 0.34
CALCA P06881 1/20 0.34
POLB P06746 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
SCHEMBL6134076 0.92 TLR8 (0.42) TLR8ADORA2AADORA1TP53NLRP3
SCHEMBL6134709 0.91 ADORA2A (0.38) TLR8ADORA2AADORA1TP53CALCA
SCHEMBL6133911 0.90 NLRP3 (0.45) TLR8ADORA2AADORA1TP53NLRP3
SCHEMBL6134535 0.89 TLR8 (0.41) TLR8ADORA2AADORA1TP53POLB
SCHEMBL6134030 0.89 CALCA (0.43) TLR8ADORA2AADORA1CALCA
SCHEMBL6133703 0.88 GHSR (0.41) ADORA2AADORA1TP53ADORA3
SCHEMBL6135237 0.86 ADORA2A (0.42) ADORA2AADORA1TP53POLB
SCHEMBL6133674 0.86 KDM4E (0.38) ADORA2AADORA1TP53POLB
SCHEMBL6134892 0.86 TP53 (0.39) ADORA2AADORA1TP53POLB
SCHEMBL6133705 0.85 ADORA2A (0.41) ADORA2AADORA1TP53POLB

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 TLR8 4293/4885ADORA2A 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.