SCHEMBL6686322

SCHEMBL6686322

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3ccno3)C(=O)OC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE4B Q07343 10/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
HDAC1 Q13547 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CSF1R P07333 1/20 0.38

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
SCHEMBL6654761 0.88 NPSR1 (0.51) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL6675814 0.88 PDE4B (0.58) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL6962406 0.88 PDE4B (0.42) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL6687102 0.87 PDE4B (0.48) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL6658910 0.87 SMN1; SMN2 (0.46) KMT2AMAPK1PDE4BPDE4APDE4C
SCHEMBL6686004 0.87 PDE4B (0.44) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL6656003 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6685859 0.86 PDE4B (0.46) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL6686405 0.85 PDE4B (0.48) KMT2AMEN1MAPK1PDE4BPDE4A
SCHEMBL147709 0.85 AAK1 (0.50) KMT2AMEN1MAPK1PDE4BPDE4A

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 370/4885MAPK1 1267/4885

“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.