SCHEMBL3533473

SCHEMBL3533473

CCCCOC(=O)N1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.75
PDE4B Q07343 13/20 0.75
PDE4C Q08493 13/20 0.75
PDE4D Q08499 13/20 0.75
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR6 P50406 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 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
SCHEMBL3534915 0.86 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5201775 0.86 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5201778 0.82 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL5202079 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL292710 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL29824397 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL291798 0.76 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3537659 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL291770 0.72 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL10705672 0.70 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718654-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-18 US disclosed
US-20060116371-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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-20060116371-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885

“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.