SCHEMBL708176

SCHEMBL708176

Cn1cc(-c2cccc(N)c2C(C)(C)O[SiH2]C(C)(C)C)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.64
CLK2 P49760 1/20 0.60
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4078372 0.86 BTK (0.73) BTKCLK2KDM4ERAB9A
SCHEMBL3867754 0.82 BTK (0.74) BTKCLK2KDM4ERAB9A
SCHEMBL1726015 0.82 BTK (0.61) BTKCLK2
SCHEMBL708175 0.82 BTK (0.66) BTKCLK2KDM4ERAB9A
SCHEMBL12602983 0.81 BTK (0.75) BTKCLK2KDM4ERAB9A
SCHEMBL16024593 0.81 BTK (0.66) BTKCLK2KDM4ERAB9A
SCHEMBL3963393 0.80 BTK (0.71) BTKCLK2KDM4ERAB9A
SCHEMBL5127683 0.78 BTK (0.62) BTKCLK2
SCHEMBL171985 0.78 BTK (0.70) BTKCLK2KDM4ERAB9A
SCHEMBL102343 0.78 BTK (1.00) BTKCLK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
EP-2297142-B1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES HOFFMANN LA ROCHE (CH) 2015-10-14 EP disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 US disclosed
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 US disclosed
US-8618098-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-12-31 US disclosed
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES (HK) 2012-05-24 US disclosed
US-8124604-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-02-28 US disclosed
US-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 US disclosed
EP-2297142-A1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 US disclosed
WO-2009156284-A1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-30 WO disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 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 (5 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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885CLK2 499/4885KDM4E 743/4885
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK BTK 1/4885CLK2 946/4885KDM4E 195/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885CLK2 499/4885KDM4E 743/4885
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885CLK2 469/4885KDM4E 1301/4885
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885CLK2 499/4885KDM4E 743/4885

“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.