SCHEMBL3535576

SCHEMBL3535576

FC(F)(F)c1nc2c(N3CCCC3)nc(Cl)nc2nc1NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.70
PDE4B Q07343 13/20 0.70
PDE4C Q08493 13/20 0.70
PDE4D Q08499 13/20 0.70
HRH4 Q9H3N8 1/20 0.40
PDE5A O76074 1/20 0.39
APP P05067 1/20 0.39
CDK1 P06493 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 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
SCHEMBL291770 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3538019 0.83 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL10703295 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL10707459 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL10870505 0.75 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10707430 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3537583 0.74 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL292710 0.71 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL29824397 0.71 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL291798 0.69 PDE4A (0.96) PDE4APDE4BPDE4CPDE4D

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.