SCHEMBL6133952

SCHEMBL6133952

COc1ccc(-c2cnc(N)nc2-c2ccccc2OC)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
ADORA2A P29274 5/20 0.48
ADORA1 P30542 5/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.43
HSP90AA1 P07900 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HSP90AB1 P08238 1/20 0.42
ATR Q13535 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL6134762 0.87 ADORA1 (0.43) LRRK2ADORA2AADORA1MAPTNPSR1
SCHEMBL6133700 0.87 MAOB (0.43) LRRK2ADORA2AADORA1MAPTNPSR1
SCHEMBL6134215 0.86 CLK1 (0.43) LRRK2ADORA2AADORA1MAPTNPSR1
SCHEMBL6133448 0.84 ADORA1 (0.59) ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL6134254 0.81 MAOB (0.46) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL6133909 0.80 ADORA1 (0.62) ADORA2AADORA1MAPTNPSR1SMN1; SMN2
SCHEMBL14451025 0.79 RAB9A (0.55) MAPTALDH1A1HSP90AA1SMN1; SMN2LMNA
SCHEMBL6134127 0.79 FGFR1 (0.46) ADORA2AADORA1HSP90AA1HSP90AB1PDGFRB
SCHEMBL6133568 0.79 ADORA1 (0.41) ADORA2AADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL6134067 0.78 ADORA2A (0.49) LRRK2ADORA2AADORA1MAPTNPSR1

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 LRRK2 225/4885ADORA2A 2/4885ADORA1 3/4885

“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.