SCHEMBL6658910

SCHEMBL6658910

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3ccccn3)C(=O)OC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRM5 P41594 3/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
PDE4B Q07343 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDCD1 Q15116 1/20 0.44
CHEK1 O14757 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6962406 0.92 PDE4B (0.42) SMN1; SMN2MAPTTP53KMT2APDE4B
SCHEMBL6656468 0.92 KMT2A (0.45) SMN1; SMN2MAPTTP53KMT2APDE4B
SCHEMBL6689185 0.89 PDE4B (0.41) SMN1; SMN2KDM4EMAPTTP53KMT2A
SCHEMBL6661702 0.89 PDE4B (0.42) SMN1; SMN2KDM4EMAPTTP53KMT2A
SCHEMBL6686004 0.88 PDE4B (0.44) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL6656384 0.88 PDE4B (0.42) SMN1; SMN2KDM4EMAPTTP53KMT2A
SCHEMBL6659876 0.87 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL6686322 0.87 KMT2A (0.47) SMN1; SMN2MAPTTP53KMT2APDE4B
SCHEMBL6658709 0.86 PDE4B (0.61) SMN1; SMN2KDM4ENPC1RAB9AGRM5
SCHEMBL147709 0.86 AAK1 (0.50) SMN1; SMN2KDM4ENPC1RAB9AMAPT

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 SMN1; SMN2 2642/4885KDM4E 1050/4885NPC1 3307/4885

“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.