SCHEMBL5440403

SCHEMBL5440403

O=c1[nH]c2ccccc2n1-c1cc(-c2ccccc2O)c(O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.69
AKT2 P31751 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNMA1 Q12791 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DAO P14920 1/20 0.44
AURKA O14965 3/20 0.43

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
SCHEMBL5430292 0.88 HSP90AA1 (0.64) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5440420 0.88 HSP90AA1 (0.76) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5430102 0.87 HSP90AA1 (0.63) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5437772 0.86 HSP90AA1 (0.69) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5440392 0.86 HSP90AA1 (0.62) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5431042 0.85 HSP90AA1 (0.63) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5440356 0.85 HSP90AA1 (0.60) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5433169 0.85 HSP90AA1 (0.71) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5429293 0.85 HSP90AA1 (0.60) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5438573 0.85 HSP90AA1 (0.60) HSP90AA1AKT2CLK2DYRK1ACLK4

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-20070105862-A1 Heat-shock protein binders ABBOTT LABORATORIES 2007-05-10 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-20070105862-A1 Heat-shock protein binders HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 5/4885AKT2 1478/4885CLK2 2419/4885

“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.