SCHEMBL6133427

SCHEMBL6133427

CC(C)n1nc(-c2cnc(NC(=O)C3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ADORA1 P30542 8/20 0.45
ADORA2A P29274 6/20 0.45
JAK1 P23458 5/20 0.44
ADORA3 P0DMS8 2/20 0.44
SLC5A1 P13866 1/20 0.42
JAK2 O60674 2/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL6133672 0.95 ADORA1 (0.47) LMNAADORA1ADORA2AJAK1ADORA3
SCHEMBL6133749 0.87 TP53 (0.44) LMNAADORA1ADORA3
SCHEMBL6134592 0.86 ADORA1 (0.47) LMNAADORA1ADORA2AADORA3
SCHEMBL6134310 0.85 GAA (0.45) ADORA1ADORA2AADORA3
SCHEMBL6134405 0.85 KDM4E (0.40) LMNAADORA1ADORA2AJAK2
SCHEMBL6135441 0.85 POLB (0.47) LMNAADORA1
SCHEMBL6134588 0.84 ADORA1 (0.48) ADORA1ADORA2AADORA3
SCHEMBL6134095 0.83 ADORA1 (0.57) ADORA1ADORA2AADORA3
SCHEMBL6135183 0.83 MERTK (0.42) ADORA1ADORA2A
SCHEMBL6134129 0.82 ADORA2A (0.48) LMNAADORA1ADORA2AADORA3

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 LMNA 3549/4885ADORA1 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.