SCHEMBL11028294

SCHEMBL11028294

CCN1Cc2c(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)ccnc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.52
KDR P35968 9/20 0.52
MAPK14 Q16539 3/20 0.51
TNNI3K Q59H18 3/20 0.51
RAF1 P04049 3/20 0.51
MAPK3 P27361 1/20 0.51
MST1R Q04912 2/20 0.47
RIPK2 O43353 1/20 0.46
MET P08581 2/20 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
SCHEMBL11028622 0.90 MET (0.48) BRAFKDRRAF1MST1RMET
SCHEMBL11030933 0.90 MST1R (0.51) BRAFKDRMST1RMET
SCHEMBL12873228 0.89 MST1R (0.46) BRAFKDRRAF1MST1RMET
SCHEMBL11031964 0.89 KDR (0.55) BRAFKDRMST1RMET
SCHEMBL1161052 0.89 MST1R (0.47) BRAFKDRRAF1MST1RMET
SCHEMBL11028321 0.88 BRD4 (0.49) BRAFKDRRAF1MST1RMET
SCHEMBL11034017 0.88 MET (0.48) KDRMST1RMET
SCHEMBL11027452 0.87 MST1R (0.44) BRAFKDRMST1RMET
SCHEMBL12873343 0.86 MST1R (0.45) BRAFKDRRAF1MST1RMET
SCHEMBL11031594 0.86 MET (0.49) BRAFKDRMST1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 BRAF 582/4885KDR 2655/4885MAPK14 1259/4885

“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.