SCHEMBL1805461

SCHEMBL1805461

CNS(=O)(=O)c1ccc(OC(C)C(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)c(OC)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 10/20 0.75
BRAF P15056 8/20 0.75
MKNK2 Q9HBH9 10/20 0.51
MKNK1 Q9BUB5 5/20 0.46

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
Trifluoroacetic Acid SCHEMBL12003686 0.95 TNNI3K (0.69) TNNI3KBRAFMKNK2MKNK1
SCHEMBL6911484 0.88 TNNI3K (0.75) TNNI3KBRAFMKNK2MKNK1
SCHEMBL1804280 0.87 TNNI3K (0.80) TNNI3KBRAF
Hydrochloric Acid SCHEMBL12003845 0.87 TNNI3K (0.74) TNNI3KBRAFMKNK2MKNK1
SCHEMBL6910349 0.86 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL1807223 0.86 TNNI3K (1.00) TNNI3KBRAF
Hydrochloric Acid SCHEMBL12004051 0.85 TNNI3K (0.98) TNNI3KBRAF
SCHEMBL1807067 0.84 TNNI3K (0.68) TNNI3KBRAFMKNK2MKNK1
Trifluoroacetic Acid SCHEMBL12003691 0.83 TNNI3K (0.69) TNNI3KBRAFMKNK2MKNK1
SCHEMBL16086930 0.83 BRAF (0.53) TNNI3KBRAFMKNK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US claimed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP claimed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP claimed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US claimed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO claimed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO 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 (1 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR TNNI3K 532/4885BRAF 1665/4885MKNK2 1531/4885

“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.