SCHEMBL6841958

SCHEMBL6841958

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ccccn3)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.53
PDE4D Q08499 15/20 0.53
PDE4A P27815 15/20 0.53
PDE4C Q08493 14/20 0.53
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM4 Q14833 2/20 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
SCHEMBL6662513 0.94 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6654629 0.94 PDE4D (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL6655979 0.93 KDM4E (0.52) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6656329 0.92 PDE4A (0.48) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL6837190 0.90 SMN1; SMN2 (0.47) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6842620 0.89 PDE4A (0.49) PDE4BPDE4DPDE4APDE4CSMN1; SMN2
SCHEMBL6656741 0.89 SMN1; SMN2 (0.45) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6656851 0.89 SMN1; SMN2 (0.46) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6657339 0.89 SMN1; SMN2 (0.47) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL7802865 0.89 PDE4A (0.53) 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 4 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-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 4/4885PDE4D 12/4885PDE4A 1/4885

“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.