SCHEMBL6134830

SCHEMBL6134830

CC(C)n1nc(-c2c(NC3CC3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.43
ADORA1 P30542 14/20 0.43
MAPK8 P45983 2/20 0.37
MAPK10 P53779 2/20 0.37
TP53 P04637 1/20 0.36
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL6135237 0.86 ADORA2A (0.42) ADORA2AADORA1TP53
SCHEMBL6133705 0.85 ADORA2A (0.41) ADORA2AADORA1TP53
SCHEMBL6133742 0.85 ADORA2A (0.41) ADORA2AADORA1TP53
SCHEMBL6133911 0.84 NLRP3 (0.45) ADORA2AADORA1TP53
SCHEMBL6133818 0.84 ADORA2A (0.40) ADORA2AADORA1TP53
SCHEMBL6134076 0.82 TLR8 (0.42) ADORA2AADORA1TP53
SCHEMBL6133703 0.82 GHSR (0.41) ADORA2AADORA1TP53
SCHEMBL6134039 0.82 TLR8 (0.42) ADORA2AADORA1TP53
SCHEMBL6133438 0.82 TP53 (0.40) ADORA2AADORA1TP53
SCHEMBL6134544 0.82 ADORA2A (0.46) ADORA2AADORA1TP53

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 3/4885MAPK8 4414/4885

“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.