SCHEMBL6841607

SCHEMBL6841607

CCC1OC(=O)N(C(NC(=O)c2ccncc2)c2ccccc2)N=C1c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOX1 Q9Y5S8 6/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ROCK2 O75116 6/20 0.34
ROCK1 Q13464 5/20 0.34
PRKG1 Q13976 4/20 0.34
RPS6KA5 O75582 3/20 0.34
CDK1 P06493 3/20 0.34
PRKACA P17612 3/20 0.34
RPS6KB1 P23443 3/20 0.34
CDK2 P24941 3/20 0.34
MAPK1 P28482 3/20 0.34
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
PRKCD Q05655 3/20 0.34
PRKG2 Q13237 3/20 0.34

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
SCHEMBL6837255 0.97 PDE4D (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL6654830 0.94 PDE4A (0.40) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6842028 0.92 PDE4A (0.36) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6837206 0.91 KMT2A (0.38) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL6841862 0.91 MTTP (0.36) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6844093 0.90 PDE4A (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL6657423 0.90 MAPT (0.38) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL6844146 0.89 MPO (0.36) PDE4BROCK2ROCK1PRKG1RPS6KA5
SCHEMBL6842650 0.89 PDE2A (0.35) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6658003 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D

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 2 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
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US 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 MAPT 3595/4885NPSR1 3604/4885NOX1 1437/4885

“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.