SCHEMBL3539405

SCHEMBL3539405

COc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.75
PDE4B Q07343 14/20 0.75
PDE4C Q08493 14/20 0.75
PDE4D Q08499 14/20 0.75
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
KHK P50053 1/20 0.45
ACHE P22303 1/20 0.44
HTR6 P50406 1/20 0.44
ROCK1 Q13464 1/20 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
SCHEMBL10709797 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL292710 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL29824397 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL291798 0.83 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL3538019 0.83 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DKHK
SCHEMBL6395182 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL10870009 0.78 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DKHK
SCHEMBL10705672 0.77 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL10713846 0.77 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL10870316 0.77 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKHK

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 4 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
EP-1819707-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058867-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO 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.