SCHEMBL5407860

SCHEMBL5407860

O=C(NCc1ccccc1C(F)(F)F)c1ccc2[nH]ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.60
WNT3A P56704 1/20 0.60
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 1/20 0.58
PTGES O14684 1/20 0.56
EPHX2 P34913 13/20 0.55
PPARG P37231 4/20 0.55
MAOB P27338 1/20 0.55
METTL3 Q86U44 1/20 0.51

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
SCHEMBL5418918 0.85 MAOB (0.58) CTNNB1WNT3AROCK2ROCK1MAOB
SCHEMBL5419581 0.84 ROCK2 (0.62) CTNNB1WNT3AROCK2ROCK1EPHX2
SCHEMBL5409039 0.83 MAPT (0.60) CTNNB1WNT3AROCK2ROCK1PPARG
SCHEMBL3470577 0.82 EPHX2 (0.67) CTNNB1WNT3AROCK2ROCK1EPHX2
SCHEMBL3640238 0.81 ROCK2 (0.59) CTNNB1WNT3AROCK2ROCK1PTGES
SCHEMBL5413661 0.81 MAOB (0.56) CTNNB1WNT3AROCK2ROCK1MAOB
SCHEMBL5412630 0.80 ROCK2 (0.64) ROCK2ROCK1MAOB
SCHEMBL5179231 0.80 MAOB (0.70) CTNNB1WNT3AROCK2ROCK1MAOB
SCHEMBL5412689 0.80 MAOB (0.67) CTNNB1WNT3AROCK2ROCK1EPHX2
SCHEMBL5409267 0.79 DDR2 (0.69) ROCK2ROCK1MAOBMETTL3

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 CTNNB1 2647/4885WNT3A 3494/4885ROCK2 2/4885

“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.