SCHEMBL8737683

SCHEMBL8737683

C=C(C)c1ccc2c(=O)n(-c3cccc(-c4cc(Nc5ccc(N6CCN(CCOC)CC6)cn5)c(=O)n(C)c4)c3CO)ncc2c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.70
YES1 P07947 1/20 0.49
FGR P09769 1/20 0.49
TEC P42680 1/20 0.49
BMX P51813 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLK Q9H2G2 1/20 0.49

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
SCHEMBL708114 0.90 BTK (0.86) BTK
SCHEMBL708115 0.90 BTK (0.70) BTKYES1FGRTECBMX
SCHEMBL708510 0.82 BTK (1.00) BTKYES1FGRTECBMX
SCHEMBL709879 0.81 BTK (0.89) BTKYES1FGRTECBMX
SCHEMBL711349 0.81 BTK (0.72) BTKYES1FGRTECBMX
SCHEMBL708171 0.81 BTK (0.85) BTK
SCHEMBL709101 0.81 BTK (0.69) BTKYES1FGRTECBMX
SCHEMBL16415740 0.80 BTK (0.59) BTKYES1FGRTECBMX
SCHEMBL708204 0.79 BTK (0.71) BTKYES1FGRTECBMX
SCHEMBL708014 0.79 BTK (0.85) BTK

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 5 patents. 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 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
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 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 (3 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 1/4885YES1 18/4885FGR 319/4885
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 1/4885YES1 51/4885FGR 864/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885YES1 18/4885FGR 319/4885

“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.