SCHEMBL21649259

SCHEMBL21649259

COC(=O)Nc1nccc(-c2cc(F)c(OCC(C)(N)CC(C)C)cc2F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
CIT O14578 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
DAPK1 P53355 1/20 0.54
MAP2K1 Q02750 1/20 0.54
PKN2 Q16513 1/20 0.54
TLK2 Q86UE8 1/20 0.54
HIPK4 Q8NE63 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MYLK2 Q9H1R3 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
BMP2K Q9NSY1 1/20 0.54
STK39 Q9UEW8 1/20 0.54
TLK1 Q9UKI8 1/20 0.54

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
SCHEMBL21508528 1.00 AAK1 (1.00) AAK1CITDAPK3JAK2DAPK1
SCHEMBL20447051 0.91 AAK1 (0.84) AAK1
SCHEMBL21508238 0.87 AAK1 (0.77) AAK1CITDAPK3JAK2DAPK1
SCHEMBL21649179 0.87 AAK1 (0.77) AAK1CITDAPK3JAK2DAPK1
SCHEMBL28479922 0.83 AAK1 (0.71) AAK1
SCHEMBL28491900 0.82 AAK1 (1.00) AAK1
SCHEMBL21649260 0.82 AAK1 (1.00) AAK1
SCHEMBL20574094 0.82 AAK1 (0.73) AAK1
SCHEMBL20574096 0.82 AAK1 (0.73) AAK1
SCHEMBL21508479 0.81 AAK1 (1.00) AAK1MAP2K1HIPK4MKNK2BMP2K

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN claimed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN claimed
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 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-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885CIT 1496/4885DAPK3 23/4885

“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.