SCHEMBL3874826

SCHEMBL3874826

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2CO)cn(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.64
CLK2 P49760 1/20 0.48
EGFR P00533 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL108327 0.89 BTK (0.81) BTKCLK2
SCHEMBL3865855 0.86 BTK (0.62) BTKCLK2
SCHEMBL3874728 0.86 BTK (0.61) BTKCLK2
SCHEMBL3868663 0.85 BTK (0.60) BTKCLK2
SCHEMBL13894122 0.83 ITK (0.54) BTK
SCHEMBL3867903 0.82 BTK (0.58) BTKCLK2EGFRBMXJAK3
SCHEMBL12602942 0.80 BTK (0.65) BTKEGFRBMXJAK3
SCHEMBL106046 0.79 BTK (0.64) BTKEGFRBMXJAK3
SCHEMBL3867072 0.79 BTK (0.49) BTKCLK2
SCHEMBL1727468 0.78 BTK (0.65) BTKBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN BTK 1/4885CLK2 552/4885EGFR 1210/4885

“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.