SCHEMBL5056487

SCHEMBL5056487

COc1cc2c(cc1OC(F)F)[C@H]1CCCC[C@H]1N=C2c1ccc(C(=O)NCCc2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.48
MAPK1 P28482 1/20 0.45
TLR7 Q9NYK1 1/20 0.43
NAMPT P43490 3/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL5483508 0.86 PTAFR (0.51) PTAFRMAPK1TLR7NAMPTUSP2
SCHEMBL5063706 0.84 PDE4B (0.45) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL7960463 0.81 PDE4D (0.47) MAPK1L3MBTL1PDE4APDE4BPDE4C
SCHEMBL5056788 0.80 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL5063683 0.79 PDE4D (0.38) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL5056692 0.78 PDE4B (0.46) PTAFRPDE4APDE4BPDE4CPDE4D
SCHEMBL5063684 0.78 BRD4 (0.38) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL5061811 0.77 PDE4D (0.44) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL5061814 0.77 PDE4D (0.49) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL5483471 0.77 ROCK2 (0.45) MAPK1TLR7NAMPTL3MBTL1PDE4A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214536-A1 Amido-Substituted 6-Phenylphenanthridines NYCOMED GMBH (DE) 2008-09-04 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-20080214536-A1 Amido-Substituted 6-Phenylphenanthridines PDE4A, PDE4B, PDE3A PTAFR 1396/4885MAPK1 440/4885TLR7 2027/4885

“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.