SCHEMBL710063

SCHEMBL710063

Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1-n1cnc2cc(N(C)C)ccc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.75
CLK2 P49760 1/20 0.53
EGFR P00533 1/20 0.49
BMX P51813 1/20 0.49
JAK3 P52333 1/20 0.49
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1726330 0.90 BTK (0.85) BTKCLK2EGFRBMXJAK3
SCHEMBL709434 0.86 BTK (1.00) BTKCLK2EGFRBMXJAK3
SCHEMBL1725599 0.83 BTK (0.80) BTKCLK2EGFRBMXJAK3
SCHEMBL708965 0.82 BTK (1.00) BTKCLK2EGFRBMXJAK3
SCHEMBL1725678 0.82 BTK (0.70) BTKCLK2EGFRBMXJAK3
SCHEMBL1725222 0.82 BTK (1.00) BTKCLK2
SCHEMBL12602983 0.81 BTK (0.75) BTKCLK2KDM4ERAB9A
SCHEMBL13893968 0.80 BTK (0.60) BTKCLK2KDM4ERAB9A
SCHEMBL13574781 0.80 BTK (0.72) BTKCLK2EGFRBMXJAK3
SCHEMBL1725376 0.80 BTK (0.86) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES (HK) 2012-05-24 US claimed
US-8124604-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-02-28 US claimed
US-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 US claimed
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 claimed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 US disclosed
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 US 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-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 US disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 US disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 US 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
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
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 (4 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 499/4885EGFR 729/4885
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 946/4885EGFR 1155/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885CLK2 499/4885EGFR 729/4885
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885CLK2 499/4885EGFR 729/4885

“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.