SCHEMBL6841862

SCHEMBL6841862

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.36
PDE2A O00408 1/20 0.35
PDE4D Q08499 3/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ROCK2 O75116 6/20 0.34
ROCK1 Q13464 5/20 0.34
PRKG1 Q13976 3/20 0.34
RPS6KA5 O75582 2/20 0.34
MAP4K4 O95819 2/20 0.34
CDK1 P06493 2/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 2/20 0.34
MAPK1 P28482 2/20 0.34
AKT1 P31749 2/20 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
SCHEMBL6842650 0.97 PDE2A (0.35) MTTPPDE2APDE4DPDE4BPDE4A
SCHEMBL6654830 0.93 PDE4A (0.40) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6842028 0.91 PDE4A (0.36) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6841607 0.91 MAPT (0.36) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6837206 0.90 KMT2A (0.38) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6837255 0.89 PDE4D (0.35) PDE4DPDE4BPDE4APDE4CSLC6A2
SCHEMBL6844093 0.89 PDE4A (0.35) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6657423 0.89 MAPT (0.38) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL6844146 0.89 MPO (0.36) PDE4BROCK2ROCK1PRKG1RPS6KA5
SCHEMBL6658003 0.86 PDE4A (0.43) PDE4DPDE4BPDE4APDE4C

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 MTTP 2258/4885PDE2A 10/4885PDE4D 12/4885

“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.