SCHEMBL105269

SCHEMBL105269

CNC(=O)Nc1cc(-c2cccc(CC(=O)N3CC(OC(C)C)C3)c2)cn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.35
CALCRL Q16602 5/20 0.34
BRD4 O60885 2/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4B Q07343 1/20 0.32
FAAH O00519 1/20 0.32
NAAA Q02083 1/20 0.32
SCN9A Q15858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ELANE P08246 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12650368 0.87 BTK (0.37) BTKCALCRLBRD4MAPTADORA2A
SCHEMBL12602931 0.87 BTK (0.37) BTKCALCRLBRD4MAPTJAK2
SCHEMBL12650328 0.84 BTK (0.36) BTKCALCRLBRD4MAPTADORA2A
SCHEMBL107567 0.83 BTK (0.38) BTKCALCRLBRD4MAPTADORA2A
SCHEMBL104651 0.82 HDAC1 (0.38) BTKCALCRLMAPTADORA2AADORA2B
SCHEMBL103354 0.80 ADORA1 (0.38) BTKCALCRLBRD4MAPTADORA2A
SCHEMBL103863 0.78 ROCK2 (0.42) BTKCALCRLBRD4
SCHEMBL3656572 0.73 BTK (0.34) BTKCALCRLBRD4MAPTADORA2A
SCHEMBL13894055 0.71 ITK (0.36)
SCHEMBL13893947 0.70 GPR142 (0.41)

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 7 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
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
CN-101835755-B Novel kinase inhibitors HOFFMANN LA ROCHE 2013-12-11 CN disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
CN-101835755-A Novel kinase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO 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 1/4885CALCRL 1485/4885BRD4 196/4885

“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.