SCHEMBL19253012

SCHEMBL19253012

COC(=O)c1c(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)cccc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.54
ANPEP P15144 2/20 0.51
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.45
MAP1LC3A Q9H492 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.43
REN P00797 1/20 0.43
CAPN1 P07384 1/20 0.41
PTPN1 P18031 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL17663526 1.00 AAK1 (0.54) AAK1ANPEPCTSLCTSBCTSS
SCHEMBL17653145 0.92 AAK1 (0.54) AAK1ANPEPCTSLCTSBCTSS
SCHEMBL17663464 0.82 AAK1 (0.57) AAK1ANPEPCTSLCTSBCTSS
SCHEMBL19253000 0.82 AAK1 (0.57) AAK1ANPEPCTSLCTSBCTSS
SCHEMBL19253020 0.80 AAK1 (0.51) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17663466 0.80 AAK1 (0.51) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17663442 0.79 AAK1 (0.50) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19252995 0.79 AAK1 (0.50) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19253007 0.76 AAK1 (0.57) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19253030 0.75 AAK1 (0.48) AAK1CTSLCTSBCTSSCTSK

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 1/4885ANPEP 2882/4885CTSL 4223/4885

“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.