SCHEMBL11029199

SCHEMBL11029199

N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccnc4c3CNC(=O)N4)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.48
SLC22A12 Q96S37 9/20 0.44
PGR P06401 1/20 0.43
HTR6 P50406 1/20 0.42
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
AXL P30530 1/20 0.39
SCN9A Q15858 2/20 0.39
HSPD1 P10809 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
HSPE1 P61604 1/20 0.39
GLO1 Q04760 1/20 0.38
SLC40A1 Q9NP59 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
SCHEMBL11029200 0.88 SLC22A12 (0.47) MST1RSLC22A12SCN9A
SCHEMBL11030467 0.88 MST1R (0.57) MST1RAXL
SCHEMBL11030922 0.87 MST1R (0.49) MST1RSLC22A12PGRBRD4AXL
SCHEMBL12873339 0.87 MST1R (0.49) MST1RAXL
SCHEMBL11031193 0.86 MST1R (0.50) MST1RPGRBRD4AXL
SCHEMBL1160910 0.86 MST1R (0.52) MST1RPGRAXL
SCHEMBL1160864 0.85 MST1R (0.50) MST1RSLC22A12AXLSCN9A
SCHEMBL11031317 0.84 MST1R (0.51) MST1RAXLSCN9A
SCHEMBL11030851 0.84 MST1R (0.51) MST1RSLC22A12AXLSCN9A
SCHEMBL11028415 0.83 MST1R (0.49) MST1RSLC22A12AXLSCN9A

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
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

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 2790/4885SLC22A12 1401/4885PGR 2573/4885

“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.