SCHEMBL609351

SCHEMBL609351

COCCN(Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE1B Q01064 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR3 P49019 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TYK2 P29597 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
HTT P42858 1/20 0.33
BPTF Q12830 1/20 0.32
MAPK1 P28482 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KLKB1 P03952 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL10201860 0.89 MKNK2 (0.37) F10HDAC1PDE1BMKNK2TYK2
SCHEMBL608744 0.87 F10 (0.45) F10PDE1BBPTFPDCD1CD274
SCHEMBL10255882 0.78 BTK (0.36) PDE1BMKNK2TYK2JAK2JAK1
SCHEMBL10255979 0.77 BTK (0.40) F10TYK2JAK2JAK1JAK3
SCHEMBL611354 0.76 MAPK1 (0.42) SMN1; SMN2HCAR3TYK2JAK2JAK1
SCHEMBL28382231 0.75 BRAF (0.34) MKNK2TYK2JAK2JAK1JAK3
SCHEMBL10255810 0.75 BRAF (0.32) TYK2JAK2JAK1JAK3BPTF
SCHEMBL609443 0.75 HCAR3 (0.48) HCAR3
SCHEMBL610722 0.72 AXL (0.41) PDE1BPDCD1CD274
SCHEMBL15101753 0.72 PKM (0.47) MEN1KMT2ASMN1; SMN2HCAR3TYK2

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-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN F10 1411/4885HDAC1 1613/4885HDAC6 1503/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN F10 1411/4885HDAC1 1613/4885HDAC6 1503/4885

“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.