SCHEMBL3537583

SCHEMBL3537583

FC(F)(F)c1nc2c(N3CCCC3)nc(Cl)nc2nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.41
PDE4B Q07343 9/20 0.41
PDE4C Q08493 9/20 0.41
PDE4D Q08499 9/20 0.41
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
PDE10A Q9Y233 2/20 0.31
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1719503 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL291929 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6395827 0.78 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10707551 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3533585 0.76 ENPP3 (0.30)
SCHEMBL3535576 0.74 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3322310 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7930957 0.71 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10869926 0.70 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10870595 0.70 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1

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.