SCHEMBL19253007

SCHEMBL19253007

COc1c(Br)ccc(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.57
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
EGFR P00533 1/20 0.42
REN P00797 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
CAPN1 P07384 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
SCHEMBL17663464 0.92 AAK1 (0.57) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19253000 0.92 AAK1 (0.57) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17653364 0.86 AAK1 (0.51) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19252999 0.85 AAK1 (0.50) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17653145 0.82 AAK1 (0.54) AAK1CTSLCTSBCTSSCTSK
SCHEMBL3979308 0.81 MEN1 (0.36) AAK1MEN1KMT2A
SCHEMBL19252989 0.81 AAK1 (0.48) AAK1CTSLCTSBCTSSCTSK
SCHEMBL19253020 0.78 AAK1 (0.51) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17663466 0.78 AAK1 (0.51) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17663442 0.78 AAK1 (0.50) 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 1/4885CTSL 4223/4885CTSB 4037/4885

“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.