SCHEMBL6842017

SCHEMBL6842017

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccco4)cc3)C(=O)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.61
PDE4D Q08499 3/20 0.55
PDE4A P27815 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
TSHR P16473 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL6677755 0.92 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6662743 0.88 TSHR (0.52) PDE4BTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6656645 0.88 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6655596 0.88 TSHR (0.52) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6677072 0.87 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6654927 0.86 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6654325 0.86 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6654240 0.86 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656013 0.86 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658242 0.86 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CPDE3B

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-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4B 4/4885PDE4D 12/4885PDE4A 1/4885

“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.