SCHEMBL7075235

SCHEMBL7075235

COc1cc(NC(=C2C(=O)OC(C)(C)OC2=O)N2CCC(N3CCCC3)CC2)ccc1-c1cnco1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.51
IMPDH2 P12268 12/20 0.49
IMPDH1 P20839 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
SCHEMBL7077282 0.88 IMPDH2 (0.52) AAK1IMPDH2IMPDH1
SCHEMBL7075192 0.88 IMPDH2 (0.54) AAK1IMPDH2IMPDH1
SCHEMBL7080323 0.88 IMPDH2 (0.53) AAK1IMPDH2
SCHEMBL7079510 0.88 AAK1 (0.52) AAK1IMPDH2IMPDH1
SCHEMBL7075708 0.84 AAK1 (0.52) AAK1IMPDH2IMPDH1
SCHEMBL7075706 0.84 IMPDH2 (0.55) AAK1IMPDH2IMPDH1
SCHEMBL7078966 0.83 GPR119 (0.53) AAK1IMPDH2IMPDH1
SCHEMBL7132866 0.82 IMPDH2 (0.50) AAK1IMPDH2IMPDH1
SCHEMBL7078390 0.82 IMPDH2 (0.51) AAK1IMPDH2IMPDH1
SCHEMBL7078381 0.79 IMPDH2 (0.51) AAK1IMPDH2IMPDH1

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 AAK1 4571/4885IMPDH2 8/4885IMPDH1 3/4885

“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.