SCHEMBL19252989

SCHEMBL19252989

COc1c(-c2cnco2)ccc(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 17/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL17653263 0.93 AAK1 (0.48) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL19253030 0.93 AAK1 (0.48) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17783188 0.89 AAK1 (0.49) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17783187 0.89 AAK1 (0.49) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17663467 0.88 AAK1 (0.48) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL19252991 0.88 AAK1 (0.48) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17653282 0.87 AAK1 (0.47) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17653278 0.87 AAK1 (0.47) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL19253007 0.81 AAK1 (0.57) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17783160 0.80 AAK1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885MAP1LC3B 884/4885MAP1LC3A 838/4885

“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.