SCHEMBL3054495

SCHEMBL3054495

CCOc1cc(C2=NNCCC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.52
PDE4A P27815 4/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
FPR2 P25090 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3931776 0.93 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5203405 0.89 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3072114 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL14484331 0.80 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3069582 0.80 PDE4A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL3927665 0.78 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3918773 0.70 PDE3B (0.68) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL13983258 0.70 HPGD (0.56) PDE4BSMN1; SMN2ALDH1A1
SCHEMBL28303332 0.69 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8351887 0.69 MAOB (0.54) PDE4BPDE4APDE4CPDE4DPDE3B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790723-B2 Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2010-09-07 US disclosed
EP-1343769-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1509506-B1 PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-08-05 EP disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7470687-B2 Aryl oximes MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470687-B2 Aryl oximes MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-20060270676-A1 Hydrazono-malonitriles EGGENWEILER HANS-MICHAEL 2006-11-30 US disclosed
US-7141572-B2 Hydrazono-malonitriles MERCK PATENT GESELLSCHAFT (DE) 2006-11-28 US disclosed
EP-1513837-B1 THIAZOLE DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2006-08-30 EP disclosed
EP-1441730-B1 HYDRAZONO-MALONITRILES MERCK PATENT GMBH (DE) 2006-08-09 EP disclosed
US-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors MERCK PATENT GMBH (DE) 2005-10-06 US disclosed
EP-1513837-A1 THIAZOLE DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2005-03-16 EP disclosed
US-20040261190-A1 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2004-12-30 US disclosed
EP-1441730-A1 HYDRAZONO-MALONITRILES Merck Patent GmbH (DE) 2004-08-04 EP disclosed
WO-2004000839-A1 THIAZOLE DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-12-31 WO disclosed
WO-2003039548-A1 HYDRAZONO-MALONITRILES MERCK PATENT GMBH (DE) 2003-05-15 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 (3 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-20060270676-A1 Hydrazono-malonitriles ME1, ACHE, ME3 PDE4B 27/4885PDE4A 12/4885PDE4C 50/4885
US-20040261190-A1 Hydrazono-malonitriles ME1, ME3, ACHE PDE4B 27/4885PDE4A 8/4885PDE4C 55/4885
US-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors PDE3B, PDE4B, PDE4A PDE4B 2/4885PDE4A 3/4885PDE4C 8/4885

“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.