SCHEMBL16014645

SCHEMBL16014645

CC(=O)OCc1ccccc1-n1ncc2cccc(F)c2c1=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
BTK Q06187 14/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 2/20 0.36

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
SCHEMBL16014489 0.85 BTK (0.42) BTK
SCHEMBL12503527 0.85 BTK (0.53) BTK
SCHEMBL16014353 0.82 BTK (0.40) BTKALDH1A1LMNAMEN1GAA
SCHEMBL17407533 0.74 BTK (0.39) HIF1ABTKALDH1A1KDM4ELMNA
SCHEMBL12503526 0.72 BTK (0.57) BTK
Potassium Ion SCHEMBL626696 0.72 BTK (0.57) BTK
SCHEMBL10201391 0.71 BTK (0.44) BTK
SCHEMBL16248113 0.69 BTK (0.58) BTK
SCHEMBL611319 0.69 BTK (0.57) BTK
SCHEMBL16627182 0.69 BTK (0.42) BTK

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
EP-2964627-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-9556147-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA INC. (US) 2017-01-31 US disclosed
EP-2964627-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002206-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
WO-2014135470-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (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-20160002206-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HIF1A 3758/4885BTK 1/4885ALDH1A1 3627/4885

“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.