SCHEMBL1614258

SCHEMBL1614258

C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccc(OS(=O)(=O)[O-])cc4)cc3)c3c(N)ncnc32)C1.[H+]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.81
EGFR P00533 8/20 0.81
ITK Q08881 5/20 0.81
TEC P42680 3/20 0.81
BMX P51813 3/20 0.81
TXK P42681 2/20 0.81
LYN P07948 2/20 0.81
FGFR2 P21802 2/20 0.81
ERBB2 P04626 2/20 0.81
NUDT5 Q9UKK9 2/20 0.81
BLK P51451 2/20 0.81
RIPK2 O43353 1/20 0.81
NR1I2 O75469 1/20 0.81
SLC22A3 O75751 1/20 0.81
LATS1 O95835 1/20 0.81
NUDT14 O95848 1/20 0.81
ABL1 P00519 1/20 0.81
LCK P06239 1/20 0.81
FYN P06241 1/20 0.81
PGR P06401 1/20 0.81

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
SCHEMBL1614256 0.93 BTK (0.83) BTKEGFRITKTECBMX
Ibrutinib SCHEMBL2244865 0.90 BTK (1.00) BTKEGFRITKTECBMX
Ibrutinib SCHEMBL201642 0.90 BTK (1.00) BTKEGFRITKTECBMX
Ibrutinib SCHEMBL201641 0.90 BTK (1.00) BTKEGFRITKTECBMX
Ibrutinib SCHEMBL201859 0.90 BTK (1.00) BTKEGFRITKTECBMX
SCHEMBL1613606 0.90 EGFR (0.90) BTKEGFRITKTECBMX
Ibrutinib SCHEMBL2244870 0.90 BTK (1.00) BTKEGFRITKTECBMX
SCHEMBL17626681 0.89 EGFR (1.00) BTKEGFRITKTECBMX
SCHEMBL17626661 0.89 EGFR (1.00) BTKEGFRITKTECBMX
SCHEMBL17626704 0.89 BTK (0.86) BTKEGFRITKTECBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 EP disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 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 (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-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885ITK 390/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885ITK 390/4885

“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.