SCHEMBL20176300

SCHEMBL20176300

COc1ccc(Cn2c(=O)c3cc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc3c3ccncc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 14/20 0.72
ROCK2 O75116 4/20 0.41
DYRK1A Q13627 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL19946143 0.90 AAK1 (0.61) AAK1ROCK2
SCHEMBL16982708 0.87 AAK1 (0.55) AAK1ROCK2DYRK1A
SCHEMBL15455095 0.84 AAK1 (0.52) AAK1DYRK1AMKNK2
SCHEMBL15455097 0.84 AAK1 (0.52) AAK1DYRK1AMKNK2
SCHEMBL20176304 0.84 AAK1 (1.00) AAK1
SCHEMBL15458779 0.82 ROCK2 (0.53) AAK1ROCK2DYRK1A
SCHEMBL15458848 0.82 ROCK2 (0.49) AAK1ROCK2DYRK1A
SCHEMBL15458770 0.81 AAK1 (0.55) AAK1ROCK2DYRK1A
SCHEMBL15458825 0.81 AAK1 (0.47) AAK1ROCK2DYRK1A
SCHEMBL19946144 0.81 AAK1 (0.59) AAK1ROCK2

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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885ROCK2 966/4885DYRK1A 518/4885

“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.