SCHEMBL6661192

SCHEMBL6661192

CCC1CC(=O)N(C(NC(=O)c2cccnc2)c2ccccc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.42
PDE4B Q07343 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
PTAFR P25105 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 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
SCHEMBL6657029 0.93 PDE4A (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL6656464 0.91 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPTAFR
SCHEMBL6658114 0.89 CYP1A2 (0.42) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL6654584 0.87 KMT2A (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6659048 0.87 MAPT (0.38) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6842734 0.86 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6660367 0.86 TLR7 (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6841792 0.86 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6841820 0.86 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6837334 0.86 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCYP3A4

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 AAK1 2795/4885PDE4B 4/4885PDE4A 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.