SCHEMBL16972772

SCHEMBL16972772

CN1C(=O)NCc2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.46
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
NOX1 Q9Y5S8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
RAD52 P43351 1/20 0.39
GAA P10253 4/20 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
SCHEMBL13091595 0.81 PARP10 (0.41) MAPTKDM4EGAAHSD17B10FYN
SCHEMBL20548510 0.80 ATAD2 (0.55) ATAD2NR1H2NR1H3MAPTKMT2A
SCHEMBL29713184 0.80 ATAD2 (0.55) ATAD2NR1H2NR1H3MAPTKMT2A
SCHEMBL6705947 0.79 CASP3 (0.49) MAPTADRA2AADRA2BADRA2CBRPF1
SCHEMBL31444689 0.79 BRD4 (0.45) MAPTKMT2AMEN1ADRA2AADRA2B
SCHEMBL23535782 0.77 LMNA (0.49) NR1H2NR1H3MAPTKDM4EL3MBTL1
SCHEMBL30040376 0.77 LMNA (0.49) NR1H2NR1H3MAPTKDM4EL3MBTL1
SCHEMBL5903145 0.76 ATAD2 (0.51) ATAD2MAPTKMT2AMEN1ALDH1A1
SCHEMBL520157 0.75 TRIM24 (0.49) ATAD2KMT2AMEN1GAAACVR1
SCHEMBL904835 0.74 BRPF1 (0.50) NR1H2NR1H3KMT2AADRA2AADRA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ATAD2 2862/4885NR1H2 653/4885NR1H3 897/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ATAD2 2862/4885NR1H2 653/4885NR1H3 897/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP ATAD2 2862/4885NR1H2 653/4885NR1H3 897/4885

“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.