SCHEMBL22044546

SCHEMBL22044546

O=C(Nc1ccccc1)c1coc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.52
MAP4K4 O95819 5/20 0.52
CLK4 Q9HAZ1 5/20 0.52
MELK Q14680 4/20 0.52
CDC7 O00311 3/20 0.52
DYRK1B Q9Y463 2/20 0.52
STK17A Q9UEE5 2/20 0.52
CDK8 P49336 1/20 0.52
MAPK14 Q16539 1/20 0.52
CAMKK2 Q96RR4 2/20 0.50
CLK1 P49759 3/20 0.47
JAK3 P52333 1/20 0.47
PRKD3 O94806 4/20 0.47
NTRK1 P04629 4/20 0.47
AXL P30530 4/20 0.47
FLT4 P35916 4/20 0.47
FLT3 P36888 4/20 0.47
CLK2 P49760 4/20 0.47
MAP4K2 Q12851 4/20 0.47
CAMK2B Q13554 4/20 0.47

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
SCHEMBL22044490 0.83 BACE1 (0.53) FLT3CHRM2CHRM4CHRM5CHRM1
SCHEMBL22044125 0.81 JAK3 (0.64) DYRK1AMAP4K4CLK4MELKCDC7
SCHEMBL22044122 0.81 CAMKK2 (0.72) DYRK1AMAP4K4CLK4MELKCDC7
SCHEMBL22044049 0.80 JAK2 (0.46) FLT3KDRROCK1ROCK2CHRM2
SCHEMBL8240376 0.79 AKT1 (0.65) DYRK1AMAP4K4CLK4MELKDYRK1B
SCHEMBL22044904 0.79 DYRK1A (0.51) DYRK1AMAP4K4CLK4MELKCDC7
SCHEMBL8242383 0.78 AKT1 (0.51) DYRK1AMAP4K4CLK4MELKCDC7
SCHEMBL24440651 0.77 CDC7 (0.52) DYRK1AMAP4K4CLK4MELKCDC7
SCHEMBL857524 0.75 ROCK1 (0.67) CAMKK2ROCK1CDK2
SCHEMBL22044129 0.74 AKT1 (0.66) DYRK1AMAP4K4CLK4MELKCDC7

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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 DYRK1A 1738/4885MAP4K4 2087/4885CLK4 3622/4885

“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.