SCHEMBL104441

SCHEMBL104441

CCn1nc(Nc2cc(Br)cn(C)c2=O)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
MET P08581 1/20 0.33
PDE4B Q07343 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BTK Q06187 2/20 0.31
MAP2K1 Q02750 3/20 0.30
MAPK11 Q15759 1/20 0.30

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
SCHEMBL1393046 0.85 BTK (0.40) GAAMAPTBTKMAP2K1
SCHEMBL255552 0.81 EPHX2 (0.34) BTKMAP2K1
SCHEMBL708981 0.78 BTK (0.38) MAPTBTKMAP2K1
SCHEMBL10255783 0.78 RAF1 (0.36) BTKMAP2K1
SCHEMBL18627648 0.75 BTK (0.34) BTKMAP2K1
SCHEMBL28379141 0.75 BTK (0.31) BTKMAP2K1
SCHEMBL24374794 0.74 BTK (0.41) BTK
SCHEMBL14914695 0.74 BTK (0.34) BTK
SCHEMBL24374921 0.74 BTK (0.40) GAAMAPTBTKMAP2K1
SCHEMBL12602969 0.73 BTK (0.46) MAPTBTK

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
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US 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
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 MAPK14 776/4885MET 4735/4885PDE4B 1405/4885

“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.