SCHEMBL7074478

SCHEMBL7074478

COc1cc(NC(NCc2cccc3ccccc23)=C2C(=O)OC(C)(C)OC2=O)ccc1-c1cnco1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
IMPDH2 P12268 15/20 0.52
AAK1 Q2M2I8 5/20 0.52
IMPDH1 P20839 3/20 0.49

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
SCHEMBL7079527 0.85 IMPDH2 (0.54) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7080348 0.84 IMPDH2 (0.53) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7077471 0.83 IMPDH2 (0.70) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7073041 0.83 IMPDH2 (0.59) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7073226 0.83 IMPDH2 (0.55) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7074953 0.82 IMPDH2 (0.60) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL6495723 0.82 IMPDH2 (0.59) IMPDH2AAK1IMPDH1
SCHEMBL15741701 0.81 ROCK2 (0.76) ROCK2ROCK1IMPDH2AAK1IMPDH1
SCHEMBL7077631 0.79 IMPDH2 (0.58) IMPDH2AAK1IMPDH1
SCHEMBL7077416 0.78 IMPDH2 (0.51) IMPDH2AAK1IMPDH1

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-20030105073-A1 Quinolone derivatives CELLTECH R&D LIMITED (GB) 2003-06-05 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-20030105073-A1 Quinolone derivatives IFNAR1, CBR1, IMPDH1 ROCK2 2933/4885ROCK1 2109/4885IMPDH2 8/4885

“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.