SCHEMBL609133

SCHEMBL609133

CCS(=O)(=O)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.41
TNNI3K Q59H18 2/20 0.41
BTK Q06187 2/20 0.36
PARG Q86W56 1/20 0.35
MAPK10 P53779 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CG P48736 1/20 0.33
NMT1 P30419 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL609544 0.88 BTK (0.42) BRAFTNNI3KBTKPARG
SCHEMBL28382233 0.82 P2RX3 (0.35) BRAFTNNI3KBTK
SCHEMBL10255882 0.79 BTK (0.36) BTKLMNA
SCHEMBL10255810 0.78 BRAF (0.32) BRAFTNNI3KBTKKDM4E
SCHEMBL28382231 0.78 BRAF (0.34) BRAFTNNI3KBTKKDM4E
SCHEMBL609443 0.77 HCAR3 (0.48)
SCHEMBL626737 0.77 SIGMAR1 (0.34) BRAFBTKMAPTLMNA
SCHEMBL611318 0.76 BTK (0.33) BRAFTNNI3KBTKDDR1
SCHEMBL12602957 0.76 HPGD (0.38) BTKKDM4ELMNA
SCHEMBL10255979 0.76 BTK (0.40) BRAFBTK

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 15 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
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
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 BRAF 121/4885TNNI3K 227/4885BTK 1/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BRAF 121/4885TNNI3K 227/4885BTK 1/4885

“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.