SCHEMBL6134495

SCHEMBL6134495

COc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA1 P30542 5/20 0.48
LRRK2 Q5S007 1/20 0.46
BRD4 O60885 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADORA2B P29275 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6133855 0.86 ADORA2A (0.48) ADORA2AADORA1LRRK2MAPTNPSR1
SCHEMBL6133988 0.85 ADORA2A (0.40) ADORA2AADORA1BRD4ALDH1A1PDGFRB
SCHEMBL6134042 0.84 ADORA2A (0.39) ADORA2AADORA1BRD4MAPTNPSR1
SCHEMBL6134686 0.84 GFER (0.43) ADORA2AADORA1LRRK2MAPTNPSR1
SCHEMBL6133388 0.82 ADORA1 (0.57) ADORA2AADORA1MAPTNPSR1FGFR1
SCHEMBL6133471 0.82 ADORA1 (0.50) ADORA2AADORA1ADORA2B
SCHEMBL6133989 0.81 KMT2A (0.62) ADORA2AADORA1MAPTNPSR1LMNA
SCHEMBL6134829 0.80 ADORA1 (0.46) ADORA2AADORA1MAPTNPSR1SMN1; SMN2
SCHEMBL6133447 0.79 ADORA2A (0.60) ADORA2AADORA1BRD4MAPTPDGFRB
SCHEMBL6134067 0.78 ADORA2A (0.49) ADORA2AADORA1LRRK2MAPTNPSR1

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 3/4885LRRK2 225/4885

“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.