SCHEMBL20447192

SCHEMBL20447192

COC(=O)Nc1nccc(-c2ccc(F)c(C(F)F)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 17/20 0.61
GAK O14976 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
DAPK1 P53355 1/20 0.43
TYRO3 Q06418 1/20 0.43
DMPK Q09013 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
TGFBR1 P36897 2/20 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
SCHEMBL20446948 0.86 AAK1 (0.46) AAK1JAK2TGFBR1
SCHEMBL21508497 0.83 AAK1 (0.56) AAK1GAKDAPK1MKNK2BMP2K
SCHEMBL21508313 0.80 AAK1 (0.61) AAK1
SCHEMBL24897652 0.80 AAK1 (0.62) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL30185619 0.80 AAK1 (0.62) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL21508514 0.78 AAK1 (0.70) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL21649184 0.77 AAK1 (1.00) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL20574109 0.77 AAK1 (1.00) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL28487821 0.74 AAK1 (0.36) AAK1GAKDAPK3JAK2ROCK2
SCHEMBL20447067 0.72 CDK5 (0.46) AAK1TGFBR1

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 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
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 EP 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 1/4885GAK 73/4885DAPK3 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.