SCHEMBL1161306

SCHEMBL1161306

CCN1Cc2c(Oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3F)ccnc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.41
MET P08581 5/20 0.40
EGFR P00533 3/20 0.39
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL11032009 0.93 AXL (0.46) AXLMETEGFRSCN9AMST1R
SCHEMBL12873682 0.92 AXL (0.41) AXLMETEGFRMST1RPLA2G7
SCHEMBL11030763 0.92 AXL (0.43) AXLMETSCN9A
SCHEMBL11031935 0.92 AXL (0.48) AXLMETEGFRMST1RPLA2G7
SCHEMBL11028053 0.91 AXL (0.43) AXLMETEGFRPLA2G7
SCHEMBL11030275 0.91 AXL (0.42) AXLMETEGFRSCN9AMST1R
SCHEMBL11031202 0.90 AXL (0.40) AXLMETEGFRSCN9AMST1R
SCHEMBL11888328 0.90 AXL (0.39) AXLMETEGFRSCN9AMST1R
SCHEMBL11032445 0.89 AXL (0.43) AXLMETEGFRPLK4AURKA
SCHEMBL1160873 0.86 AXL (0.43) AXLMETEGFRSCN9A

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 8 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
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO 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 AXL 1732/4885MET 1111/4885EGFR 723/4885

“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.