SCHEMBL6842547

SCHEMBL6842547

CCC1SC(=O)N(C(NC(=O)c2ccncc2)c2ccccc2)N=C1c1ccc(OC)c(OCF)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
ROCK1 Q13464 10/20 0.36
ROCK2 O75116 9/20 0.36
NOX1 Q9Y5S8 2/20 0.35
PRKG1 Q13976 5/20 0.34
PRKACA P17612 4/20 0.34
RPS6KB1 P23443 4/20 0.34
CDK2 P24941 4/20 0.34
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
PRKCD Q05655 4/20 0.34
PRKG2 Q13237 4/20 0.34
PKN2 Q16513 4/20 0.34
CLK4 Q9HAZ1 4/20 0.34
SGK2 Q9HBY8 4/20 0.34
RPS6KA5 O75582 3/20 0.34
CDK1 P06493 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
SCHEMBL6841793 0.98 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6837197 0.94 MAPT (0.38) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6655985 0.94 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6657341 0.93 KMT2A (0.40) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6843888 0.91 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6841911 0.91 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6841598 0.90 NOX1 (0.39) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6844107 0.89 ROCK2 (0.38) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6842572 0.89 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL6841960 0.88 PDE4A (0.44) 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 PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.