SCHEMBL5655346

SCHEMBL5655346

COc1ccc(NCc2cnccc2CN2CCCCC2)nc1OC1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 7/20 0.34
PDE4D Q08499 7/20 0.34
PDE4A P27815 6/20 0.34
PDE4C Q08493 6/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACHE P22303 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL2906226 0.70 CCNT1 (0.41)
SCHEMBL2909451 0.69 SYK (0.38) MEN1TSHRKMT2AKDM4ETDP1
SCHEMBL6174046 0.66 KDM4E (0.56) MEN1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL2901841 0.66 VCP (0.43) ALDH1A1KDM4E
SCHEMBL2901839 0.66 VCP (0.43) ALDH1A1KDM4E
SCHEMBL2905403 0.65 PDE4D (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL2903176 0.65 PDE4D (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL2901989 0.64 PDE4D (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL5820437 0.64 MAP4K4 (0.41) TSHRPDE4BPDE4DPDE4APDE4C
SCHEMBL2909504 0.63 SYK (0.41) MEN1ALDH1A1KMT2APDE4BPDE4D

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-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed

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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B IRAK4 1110/4885MEN1 2795/4885ALDH1A1 418/4885

“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.