SCHEMBL6912358

SCHEMBL6912358

CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)cc23)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 15/20 0.62
▸ BRAF P15056 8/20 0.62
▸ RET P07949 2/20 0.46
▸ KIF5B P33176 2/20 0.46
▸ EGFR P00533 3/20 0.45
▸ FGFR1 P11362 3/20 0.45
▸ FLT1 P17948 3/20 0.45
▸ FLT4 P35916 3/20 0.45
▸ KDR P35968 3/20 0.45

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 SCHEMBL12003533 0.96 TNNI3K (0.57) TNNI3KBRAFRETKIF5BEGFR
SCHEMBL1805836 0.86 TNNI3K (0.69) TNNI3KBRAF
SCHEMBL16086936 0.85 TNNI3K (0.44) TNNI3KBRAFRETKIF5BEGFR
SCHEMBL12065865 0.83 TNNI3K (0.79) TNNI3KBRAF
Trifluoroacetic Acid SCHEMBL12003827 0.82 TNNI3K (0.64) TNNI3KBRAF
SCHEMBL6910873 0.82 TNNI3K (0.67) TNNI3KBRAFFGFR1FLT1KDR
SCHEMBL6911311 0.81 TNNI3K (0.67) TNNI3KBRAFRETKIF5BEGFR
Trifluoroacetic Acid SCHEMBL12003742 0.81 TNNI3K (0.62) TNNI3KBRAFRETEGFR
Trifluoroacetic Acid SCHEMBL12003708 0.80 TNNI3K (0.61) TNNI3KBRAFRETEGFRFGFR1
SCHEMBL6910189 0.79 TNNI3K (0.62) TNNI3KBRAFRETKIF5BEGFR

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 10 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
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 — — US claimed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 — — US disclosed
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
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 — — US 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

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 1665/4885RET 1565/4885

“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.

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