SCHEMBL721767

SCHEMBL721767

CN(C)CC=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.93
EGFR P00533 11/20 0.93
ITK Q08881 6/20 0.91
LCK P06239 5/20 0.91
FLT3 P36888 2/20 0.71
KIT P10721 1/20 0.71
JAK3 P52333 2/20 0.70
TEC P42680 3/20 0.69
BMX P51813 3/20 0.69
TXK P42681 2/20 0.69
LYN P07948 2/20 0.69
FGFR2 P21802 2/20 0.69
RIPK2 O43353 1/20 0.69
NR1I2 O75469 1/20 0.69
SLC22A3 O75751 1/20 0.69
LATS1 O95835 1/20 0.69
NUDT14 O95848 1/20 0.69
ABL1 P00519 1/20 0.69
ERBB2 P04626 1/20 0.69
FYN P06241 1/20 0.69

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
SCHEMBL408535 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL722563 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL722562 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL202459 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL203607 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL15488805 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL19360226 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL441377 0.95 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL410214 0.95 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL14575750 0.95 BTK (0.84) BTKEGFRITKLCKFLT3

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-20120053189-A1 BTK INHIBITORS FOR THE TREATMENT OF IMMUNE MEDIATED CONDITIONS PHARMACYCLICS, INC. (US) 2012-03-01 US claimed
US-20120053189-A1 BTK INHIBITORS FOR THE TREATMENT OF IMMUNE MEDIATED CONDITIONS PHARMACYCLICS, INC. (US) 2012-03-01 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-20120053189-A1 BTK INHIBITORS FOR THE TREATMENT OF IMMUNE MEDIATED CONDITIONS BTK, SYK, LCK BTK 1/4885EGFR 997/4885ITK 65/4885

“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.