SCHEMBL11033882

SCHEMBL11033882

COc1ccc(CN2Cc3c(Oc4ccc(NC(=O)c5cccc(Br)c5)cc4F)ccnc3NC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
MST1R Q04912 2/20 0.44
MET P08581 15/20 0.43
KDR P35968 9/20 0.42
IGF1R P08069 8/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL11031908 0.94 MST1R (0.45) MST1RMETKDRIGF1RPARP1
SCHEMBL11029810 0.93 MEN1 (0.46) MST1RMETKDRIGF1RPARP1
SCHEMBL1161267 0.92 MST1R (0.46) MST1RMETKDRIGF1RPARP1
SCHEMBL11029333 0.92 MET (0.45) MST1RMETKDRIGF1R
SCHEMBL11029098 0.90 MST1R (0.42) MST1RMETKDRIGF1RPARP1
SCHEMBL11886915 0.88 MET (0.47) BRAFMST1RMETKDR
SCHEMBL11026565 0.85 NPC1 (0.46) BRAFMST1RMETKDRIGF1R
SCHEMBL11050470 0.84 MST1R (0.47) MST1RMETKDRIGF1R
SCHEMBL11030863 0.84 MST1R (0.47) MST1RMETKDRIGF1R
SCHEMBL14704367 0.81 MST1R (0.69) MST1RMETKDRIGF1R

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-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

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 582/4885MST1R 2790/4885MET 1111/4885

“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.