SCHEMBL6842572

SCHEMBL6842572

CCC1SC(=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
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MTTP P55157 5/20 0.36
NOX1 Q9Y5S8 3/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 4/20 0.36
PDE2A O00408 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
CHEK1 O14757 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 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
SCHEMBL6841911 0.97 PDE4A (0.36) PDE4BPDE4APDE4CPDE4DMTTP
SCHEMBL6655985 0.93 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6841793 0.91 PDE4A (0.37) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6841598 0.91 NOX1 (0.39) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6657341 0.90 KMT2A (0.40) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6843888 0.89 PDE4A (0.37) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6842547 0.89 PDE4A (0.37) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6837197 0.89 MAPT (0.38) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6844107 0.89 ROCK2 (0.38) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6841960 0.86 PDE4A (0.44) PDE4BPDE4APDE4CPDE4D

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 PDE4B 4/4885PDE4A 1/4885PDE4C 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.