SCHEMBL6133549

SCHEMBL6133549

COc1ccc(CC(=O)c2cccnc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
PLOD2 O00469 2/20 0.48
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.45
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
MEN1 O00255 2/20 0.43
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 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
SCHEMBL6134151 0.84 NNMT (0.45) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL6134121 0.82 NNMT (0.44) ALDH1A1PLOD2KMT2APLOD3PLOD1
SCHEMBL6134193 0.78 CTNNB1 (0.50) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL6134053 0.78 CES2 (0.51) ALDH1A1MAPTL3MBTL1POLBTSHR
SCHEMBL6134112 0.77 NPC1 (0.45) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL6133377 0.77 NPC1 (0.44) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL5799347 0.77 NPC1 (0.48) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL6133543 0.77 NPC1 (0.54) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL6133870 0.75 GSK3B (0.43) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL6133460 0.75 NPC1 (0.50) ALDH1A1KMT2AMAPTMEN1GAA

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 ALDH1A1 801/4885PLOD2 4062/4885KMT2A 1769/4885

“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.