SCHEMBL5409145

SCHEMBL5409145

O=C(NCc1cc(F)ccc1F)c1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.58
ROCK1 Q13464 6/20 0.58
MAOB P27338 5/20 0.57
CTNNB1 P35222 2/20 0.56
WNT3A P56704 2/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
METTL3 Q86U44 1/20 0.53
DYRK3 O43781 1/20 0.51
MAP4K4 O95819 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CLK2 P49760 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
KLKB1 P03952 1/20 0.49
MAP4K1 Q92918 1/20 0.49
NAMPT P43490 1/20 0.47

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
SCHEMBL5409317 0.91 MAOB (0.57) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5418918 0.87 MAOB (0.58) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5413102 0.84 MAOB (0.71) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5413661 0.83 MAOB (0.56) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5409709 0.82 MAOB (0.71) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5413161 0.82 MAOB (0.67) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL6070792 0.82 ROCK2 (0.49) ROCK2ROCK1MAOBKLKB1MAP4K1
SCHEMBL5413136 0.81 MAOB (0.67) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5414932 0.81 ROCK2 (0.68) ROCK2ROCK1MAOBCTNNB1WNT3A
SCHEMBL5441326 0.80 MAOB (0.79) ROCK2ROCK1MAOBCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885MAOB 2025/4885

“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.