SCHEMBL2157185

SCHEMBL2157185

CC=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.82
EGFR P00533 7/20 0.81
LCK P06239 4/20 0.81
ITK Q08881 4/20 0.81
NUDT14 O95848 2/20 0.71
NUDT5 Q9UKK9 2/20 0.71
LYN P07948 3/20 0.68
TEC P42680 3/20 0.67
BMX P51813 3/20 0.67
TXK P42681 2/20 0.67
FGFR2 P21802 2/20 0.67
RIPK2 O43353 1/20 0.67
NR1I2 O75469 1/20 0.67
SLC22A3 O75751 1/20 0.67
LATS1 O95835 1/20 0.67
ABL1 P00519 1/20 0.67
ERBB2 P04626 1/20 0.67
FYN P06241 1/20 0.67
PGR P06401 1/20 0.67
CSF1R P07333 1/20 0.67

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
SCHEMBL410037 1.00 BTK (0.82) BTKEGFRLCKITKNUDT14
SCHEMBL2158182 0.95 BTK (0.91) BTKEGFRLCKITKNUDT14
SCHEMBL410025 0.95 BTK (0.91) BTKEGFRLCKITKNUDT14
SCHEMBL20144254 0.91 BTK (0.80) BTKEGFRLCKITKFGR
SCHEMBL20144257 0.90 BTK (0.79) BTKEGFRLCKITKNUDT14
SCHEMBL201601 0.90 BTK (1.00) BTKEGFRLCKITKNUDT14
SCHEMBL201600 0.90 BTK (1.00) BTKEGFRLCKITKNUDT14
SCHEMBL15851228 0.90 BTK (1.00) BTKEGFRLCKITKNUDT14
SCHEMBL202187 0.90 BTK (1.00) BTKEGFRLCKITKNUDT14
SCHEMBL11888709 0.90 BTK (0.83) BTKEGFRLCKITKNUDT14

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-8232280-B2 Inhibitors of bruton'S tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-31 US claimed
US-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-07-28 US claimed

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-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885

“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.