SCHEMBL17516012

SCHEMBL17516012

COc1cc2nc([C@@H](CC(C)C)NC(=O)OCc3ccccc3)[nH]c2cc1-c1cnco1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.68
IMPDH2 P12268 6/20 0.46

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
SCHEMBL17663481 0.90 AAK1 (0.57) AAK1IMPDH2
SCHEMBL17493948 0.87 AAK1 (0.78) AAK1IMPDH2
SCHEMBL17515950 0.86 AAK1 (0.61) AAK1
SCHEMBL17515977 0.86 AAK1 (0.73) AAK1
SCHEMBL17515824 0.85 AAK1 (0.58) AAK1IMPDH2
SCHEMBL17515986 0.84 AAK1 (0.77) AAK1
SCHEMBL17515826 0.83 AAK1 (0.67) AAK1
SCHEMBL17516059 0.81 AAK1 (0.86) AAK1
SCHEMBL17663450 0.81 AAK1 (0.61) AAK1IMPDH2
SCHEMBL17515829 0.81 AAK1 (1.00) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
WO-2016022312-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 WO 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-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS AAK1, NCK1, DAPK2 AAK1 1/4885IMPDH2 3681/4885

“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.