SCHEMBL3537659

SCHEMBL3537659

CC(C)Cc1nc2c(N3CCCC3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2nc1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.60
PDE4B Q07343 11/20 0.60
PDE4C Q08493 11/20 0.60
PDE4D Q08499 11/20 0.60
ACHE P22303 2/20 0.53
SLC2A1 P11166 1/20 0.44
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 1/20 0.43
KIT P10721 1/20 0.39
GBA1 P04062 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL5203379 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3534915 0.87 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5202079 0.77 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5201775 0.75 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3533473 0.74 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL13009783 0.74 ACHE (0.66) ACHESLC2A1TLR9TLR7GBA1
SCHEMBL5201778 0.71 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL9756638 0.69 GBA1 (0.49) ACHETLR9TLR7KITGBA1
SCHEMBL3637851 0.69 SLC2A1 (0.54) ACHESLC2A1TLR9TLR7
SCHEMBL3539405 0.68 PDE4A (0.75) 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.