SCHEMBL6133870

SCHEMBL6133870

COc1ccc(CC(=O)c2ccc(Br)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.43
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NNMT P40261 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL6133543 0.86 NPC1 (0.54) GSK3BRAB9AKMT2ALMNAMAPT
SCHEMBL5799347 0.86 NPC1 (0.48) GSK3BRAB9AKMT2ALMNAMEN1
SCHEMBL6133460 0.85 NPC1 (0.50) GSK3BRAB9AKMT2ALMNAMEN1
SCHEMBL6134151 0.84 NNMT (0.45) GSK3BRAB9AKMT2ALMNAMEN1
SCHEMBL6134121 0.83 NNMT (0.44) RAB9AKMT2ALMNANPSR1NNMT
SCHEMBL6134112 0.83 NPC1 (0.45) RAB9AKMT2ALMNAMEN1MAPT
SCHEMBL6134073 0.79 PDE4D (0.45) NNMTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6133689 0.79 PDE4D (0.54) KMT2ALMNAMEN1MAPTMAPK1
SCHEMBL6135277 0.78 CES2 (0.41) RAB9AKMT2ALMNAMEN1MAPT
SCHEMBL6133524 0.78 NNMT (0.41) RAB9AKMT2ALMNAMEN1MAPT

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 GSK3B 516/4885RAB9A 1824/4885KMT2A 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.