SCHEMBL6133313

SCHEMBL6133313

CC(C)n1nc(-c2cnc(N)nc2-c2ccc(OCCN3CCOCC3)cc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.50
ADORA1 P30542 8/20 0.50
ADORA2B P29275 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
SYK P43405 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
TNK2 Q07912 1/20 0.41

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
SCHEMBL6133482 0.90 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3BCHE
SCHEMBL6133354 0.86 ADCY10 (0.45) ADORA2AADORA1ADORA2BADORA3FGFR1
SCHEMBL6133633 0.85 HRH3 (0.47) ADORA2AADORA1ADORA2BHRH3NPC1
SCHEMBL6134091 0.85 HRH3 (0.45) ADORA2AADORA1ADORA2BHRH3NPC1
SCHEMBL6133975 0.84 HRH3 (0.44) ADORA2AADORA1ADORA2BHRH3
SCHEMBL6134496 0.84 KMT2A (0.45) ADORA2AADORA1ADORA2BHRH3FGFR1
SCHEMBL6135983 0.84 HRH3 (0.44) ADORA2AADORA1ADORA2BHRH3
SCHEMBL6134257 0.83 KMT2A (0.44) ADORA2AADORA1ADORA2BHRH3CA1
SCHEMBL6133451 0.82 HRH3 (0.45) HRH3NPC1RAB9A
SCHEMBL6133584 0.82 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3HRH3

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 3/4885ADORA2B 1/4885

“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.