SCHEMBL17181775

SCHEMBL17181775

C=CC(=O)N1CCCC(n2nc(N)c(C(N)=O)c2-c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.75
EGFR P00533 6/20 0.75
SRC P12931 2/20 0.64
TEC P42680 3/20 0.64
BMX P51813 3/20 0.64
TXK P42681 2/20 0.64
LYN P07948 2/20 0.64
FGFR2 P21802 2/20 0.64
ITK Q08881 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
KCNH2 Q12809 2/20 0.64
RIPK2 O43353 1/20 0.64
NR1I2 O75469 1/20 0.64
SLC22A3 O75751 1/20 0.64
LATS1 O95835 1/20 0.64
NUDT14 O95848 1/20 0.64
ABL1 P00519 1/20 0.64
ERBB2 P04626 1/20 0.64

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
SCHEMBL15756407 1.00 BTK (0.75) BTKEGFRSRCTECBMX
SCHEMBL15472582 0.86 BTK (1.00) BTKEGFRSRC
SCHEMBL15669774 0.86 BTK (1.00) BTKEGFRSRC
SCHEMBL15756482 0.86 BTK (1.00) BTKEGFRSRC
SCHEMBL19997516 0.85 BTK (0.55) BTKEGFRSRCTECBMX
SCHEMBL15756477 0.84 BTK (0.55) BTKEGFRSRCITKLCK
SCHEMBL15756478 0.84 BTK (0.55) BTKEGFRSRCITKLCK
SCHEMBL20411962 0.83 BTK (0.82) BTKEGFRSRCTECBMX
SCHEMBL21791798 0.81 BTK (0.69) BTKEGFRSRCTECBMX
SCHEMBL15763139 0.81 BTK (0.69) BTKEGFRSRCTECBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed
US-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2015-10-22 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-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885EGFR 875/4885SRC 9/4885

“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.