SCHEMBL4044216

SCHEMBL4044216

O=S(=O)(Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 1.00
PDE4B Q07343 3/20 1.00
PDE4C Q08493 2/20 1.00
PDE4D Q08499 2/20 1.00
SLC40A1 Q9NP59 6/20 0.47
G6PD P11413 1/20 0.46
NFKBIA P25963 1/20 0.46
AGTR1 P30556 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
GLO1 Q04760 1/20 0.46
PAX8 Q06710 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
F2 P00734 1/20 0.45
LIMK2 P53671 1/20 0.45
HTT P42858 3/20 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
SCHEMBL13849020 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL13849016 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DNFKBIA
SCHEMBL4044260 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL6676749 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL4042250 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL14402844 0.76 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7437896 0.76 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4038802 0.76 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL4038041 0.75 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL13849048 0.75 PDE4A (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO 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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.