SCHEMBL6133923

SCHEMBL6133923

CCn1nc(-c2cnc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.47
ADORA2A P29274 12/20 0.47
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK10 P53779 1/20 0.41
ADORA2B P29275 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
SCHEMBL6134167 0.91 ADORA1 (0.45) ADORA1ADORA2AADORA2B
SCHEMBL6133381 0.87 POLB (0.48) ADORA1ADORA2A
SCHEMBL7257263 0.85 ADORA1 (0.45) ADORA1ADORA2AHTT
SCHEMBL6133471 0.84 ADORA1 (0.50) ADORA1ADORA2AADORA2B
SCHEMBL6134324 0.81 ADORA1 (0.47) ADORA1ADORA2AADORA2B
SCHEMBL5147930 0.80 ADORA2A (0.43) ADORA1ADORA2AHTT
SCHEMBL6538523 0.79 TP53 (0.42) HTTLMNA
SCHEMBL6133393 0.79 ADORA1 (0.48) ADORA1ADORA2ALMNAGAAMAPK10
SCHEMBL6133912 0.77 ADORA1 (0.44) ADORA1ADORA2ALMNAADORA2B
SCHEMBL6133694 0.77 ADORA1 (0.46) ADORA1ADORA2ALMNAGAAMAPK10

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 ADORA1 3/4885ADORA2A 2/4885HTT 184/4885

“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.