SCHEMBL6654584

SCHEMBL6654584

CCOc1ccc(C2=NN(C(NC(=O)c3ccncc3)c3ccccc3)C(=O)CC2CC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
PDE4B Q07343 7/20 0.38
PDE4D Q08499 6/20 0.38
PDE4A P27815 5/20 0.38
PDE4C Q08493 5/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL6659048 0.97 MAPT (0.38) KMT2AMEN1POLBMAPTNPSR1
SCHEMBL6656464 0.95 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL6842734 0.95 PDE4B (0.37) KMT2AMEN1POLBPDE4BPDE4D
SCHEMBL6841820 0.93 PDE4B (0.37) MAPTNPSR1LMNAPDE4BPDE4D
SCHEMBL6841792 0.91 PDE4B (0.37) KMT2AMEN1MAPTNPSR1PDE4B
SCHEMBL6657834 0.91 PDE4B (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL6837635 0.90 PDE4B (0.37) POLBMAPTPDE4BPDE4DPDE4A
SCHEMBL6837334 0.90 PDE4B (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL6841687 0.89 PDE4B (0.36) PDE4BPDE4DPDE4APDE4C
SCHEMBL6660417 0.88 PDE4A (0.44) PDE4BPDE4DPDE4APDE4C

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 KMT2A 3056/4885MEN1 370/4885POLB 897/4885

“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.