SCHEMBL15577367

SCHEMBL15577367

CC(C)(C#N)c1ccc2c(=O)n(-c3cccc(Br)c3C=O)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.39
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL707668 0.89 BTK (0.48) BTKNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13512879 0.82 SMN1; SMN2 (0.40) BTKNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14878002 0.79 SMN1; SMN2 (0.35) BTKNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15577348 0.76 BTK (0.48) BTKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1726236 0.74 BTK (0.52) BTK
SCHEMBL13835428 0.73 BTK (0.42) BTK
SCHEMBL8735176 0.71 BTK (0.64) BTK
SCHEMBL610724 0.70 BTK (0.43) BTK
SCHEMBL1726289 0.70 BTK (0.33) BTK
SCHEMBL13834480 0.69 BTK (0.45) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 US disclosed
US-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 US disclosed
US-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 US disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
EP-2895473-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014040965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed
WO-2014040965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885NPC1 4338/4885RAB9A 1723/4885

“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.