SCHEMBL19253002

SCHEMBL19253002

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.51
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
HASPIN Q8TF76 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
BMP2K Q9NSY1 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
SCHEMBL17653282 0.89 AAK1 (0.47) AAK1
SCHEMBL17653278 0.89 AAK1 (0.47) AAK1
SCHEMBL17783084 0.87 AAK1 (0.52) AAK1CITGAKPRKXPRKCQ
SCHEMBL19252994 0.86 AAK1 (0.52) AAK1CITGAKPRKXPRKCQ
SCHEMBL17653360 0.81 AAK1 (0.57) AAK1
SCHEMBL16370778 0.79 AAK1 (0.61) AAK1
SCHEMBL17653416 0.79 AAK1 (0.48) AAK1
SCHEMBL17653180 0.78 AAK1 (0.44) AAK1
SCHEMBL16371243 0.77 AAK1 (0.82) AAK1
SCHEMBL19252989 0.77 AAK1 (0.48) 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 1/4885CIT 1300/4885GAK 123/4885

“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.