SCHEMBL608994

SCHEMBL608994

Cn1nc(Cl)cc(Nc2ccc(OCC(C)(C)O)cn2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
BTK Q06187 5/20 0.37
MKNK2 Q9HBH9 1/20 0.34
P2RX3 P56373 5/20 0.33
LYN P07948 3/20 0.33
SRC P12931 1/20 0.33
PDE10A Q9Y233 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 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
SCHEMBL607786 0.84 BTK (0.48) BTKMKNK2P2RX3LYNSRC
SCHEMBL10201611 0.82 PPARA (0.40) BTKP2RX3PDE10A
SCHEMBL16248091 0.81 BTK (0.41) BTKP2RX3PDE10A
SCHEMBL609229 0.81 BTK (0.37) BTKP2RX3SRCPDE10A
SCHEMBL28382233 0.81 P2RX3 (0.35) BTKP2RX3LYNSRCPDE10A
SCHEMBL610812 0.81 BTK (0.39) BTKLYNSRCPDE10A
SCHEMBL609575 0.80 PPARA (0.46) BTKMKNK2P2RX3JAK2JAK1
SCHEMBL10279193 0.80 BTK (0.38) BTKP2RX3SRCPDE10A
SCHEMBL10201686 0.79 BTK (0.39) BTKP2RX3LYNSRC
SCHEMBL609693 0.79 BTK (0.42) BTKPDE10A

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 17 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
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
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
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-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US 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
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 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
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
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US 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 SYK 2/4885BRD4 291/4885CCL2 1192/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN SYK 2/4885BRD4 291/4885CCL2 1192/4885

“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.