SCHEMBL11031317

SCHEMBL11031317

O=C1NCc2c(Oc3ccc(NS(=O)(=O)c4cc(F)c(F)c(F)c4)cc3F)ccnc2N1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.51
BRAF P15056 4/20 0.39
RAF1 P04049 2/20 0.39
AXL P30530 8/20 0.38
MET P08581 3/20 0.37
SCN9A Q15858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
DDR2 Q16832 1/20 0.35

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
SCHEMBL1160864 0.92 MST1R (0.50) MST1RBRAFAXLSCN9AALDH1A1
SCHEMBL11030467 0.91 MST1R (0.57) MST1RBRAFRAF1AXLMET
SCHEMBL11030851 0.91 MST1R (0.51) MST1RBRAFRAF1AXLMET
SCHEMBL11028415 0.89 MST1R (0.49) MST1RAXLMETSCN9AALDH1A1
SCHEMBL1160924 0.89 MST1R (0.49) MST1RBRAFRAF1AXLMET
SCHEMBL1160971 0.87 MST1R (0.50) MST1RAXLMETALDH1A1HPGD
SCHEMBL12873339 0.87 MST1R (0.49) MST1RBRAFRAF1AXLMET
SCHEMBL11030922 0.87 MST1R (0.49) MST1RAXLMETSCN9AALDH1A1
SCHEMBL11032353 0.86 MST1R (0.54) MST1RBRAFAXLMET
SCHEMBL11029200 0.86 SLC22A12 (0.47) MST1RSCN9A

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 MST1R 2790/4885BRAF 582/4885RAF1 1266/4885

“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.