SCHEMBL17515973

SCHEMBL17515973

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 13/20 1.00
▸ EGFR P00533 1/20 0.52
▸ MAP1LC3B Q9GZQ8 1/20 0.48
▸ MAP1LC3A Q9H492 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ REN P00797 1/20 0.46
▸ FPR2 P25090 1/20 0.44

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
SCHEMBL19328184 1.00 AAK1 (1.00) AAK1EGFRMAP1LC3BMAP1LC3ACTSL
SCHEMBL1482036 0.89 AAK1 (0.80) AAK1EGFRCTSBCTSSCTSK
SCHEMBL1479930 0.88 AAK1 (0.78) AAK1EGFRCTSBCTSSCTSK
SCHEMBL6296452 0.85 AAK1 (0.74) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17493766 0.85 AAK1 (0.74) AAK1EGFRCTSBCTSSCTSK
SCHEMBL30022338 0.84 AAK1 (0.73) AAK1MAP1LC3BMAP1LC3ACTSLCTSB
SCHEMBL17493748 0.84 AAK1 (0.72) AAK1FPR2
SCHEMBL30134945 0.82 AAK1 (0.69) AAK1EGFRMAP1LC3BMAP1LC3ACTSL
SCHEMBL2327747 0.80 AAK1 (0.76) AAK1EGFRCTSBCTSSCTSK
SCHEMBL28445012 0.80 AAK1 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
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 (2 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 1/4885EGFR 1126/4885MAP1LC3B 1240/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 AAK1 1/4885EGFR 1126/4885MAP1LC3B 1240/4885

“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.

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