SCHEMBL6686004

SCHEMBL6686004

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3ccncc3)C(=O)OC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
AAK1 Q2M2I8 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL147709 0.91 AAK1 (0.50) PDE4BAAK1MAPK1HTTSMN1; SMN2
SCHEMBL6962406 0.89 PDE4B (0.42) PDE4BLMNASMN1; SMN2MAPTPDE4A
SCHEMBL6658910 0.88 SMN1; SMN2 (0.46) PDE4BMAPK1SMN1; SMN2MAPTPDE4A
SCHEMBL6656468 0.87 KMT2A (0.45) PDE4BSMN1; SMN2MAPTPDE4APDE4C
SCHEMBL6658092 0.87 PDE4B (0.41) PDE4BAAK1LMNAMAPK1SMN1; SMN2
SCHEMBL6686322 0.87 KMT2A (0.47) PDE4BMAPK1SMN1; SMN2MAPTPDE4A
SCHEMBL6656627 0.87 KMT2A (0.48) PDE4BLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL6676724 0.86 PDE4B (0.59) PDE4BAAK1PDE4APDE4CPDE4D
SCHEMBL6656003 0.86 PDE4B (0.44) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL6654761 0.86 NPSR1 (0.51) PDE4BLMNAMAPK1HTTMAPT

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
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO 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 4/4885AAK1 2795/4885LMNA 2603/4885

“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.