SCHEMBL11028697

SCHEMBL11028697

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3c2CNC(=O)N3)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.61
BRAF P15056 13/20 0.56
KDR P35968 8/20 0.56
MAPK14 Q16539 3/20 0.53
TNNI3K Q59H18 3/20 0.53
RAF1 P04049 3/20 0.53
MAPK3 P27361 1/20 0.53
FLT3 P36888 1/20 0.48
MET P08581 1/20 0.48

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
SCHEMBL11029736 0.89 MST1R (0.60) MST1RBRAFKDRRAF1MET
SCHEMBL1161173 0.88 MST1R (0.58) MST1RBRAFKDRFLT3MET
SCHEMBL11028905 0.88 KDR (0.59) MST1RBRAFKDRFLT3
SCHEMBL11030856 0.86 MST1R (0.60) MST1RBRAFKDRRAF1FLT3
SCHEMBL11028294 0.84 BRAF (0.52) MST1RBRAFKDRMAPK14TNNI3K
SCHEMBL1160910 0.83 MST1R (0.52) MST1RBRAFKDRMET
SCHEMBL1161123 0.82 MST1R (0.58) MST1RBRAFKDRFLT3MET
SCHEMBL1161272 0.82 MST1R (0.68) MST1RBRAFKDRFLT3MET
SCHEMBL11032091 0.82 MST1R (0.56) MST1RBRAFKDRFLT3MET
SCHEMBL1161339 0.81 MST1R (0.63) MST1RBRAFRAF1MET

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-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
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 582/4885KDR 2655/4885

“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.