SCHEMBL11032091

SCHEMBL11032091

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccnc3c2CNC(=O)N3)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.56
MET P08581 7/20 0.48
BRAF P15056 4/20 0.46
KDR P35968 3/20 0.43
PDGFRA P16234 2/20 0.43
AXL P30530 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
MYOC Q99972 1/20 0.41

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
SCHEMBL11030856 0.89 MST1R (0.60) MST1RMETBRAFKDRPDGFRA
SCHEMBL1161123 0.85 MST1R (0.58) MST1RMETBRAFKDRPDGFRA
SCHEMBL11029736 0.85 MST1R (0.60) MST1RMETBRAFKDRPDGFRA
SCHEMBL11029771 0.83 MET (0.45) MST1RMETBRAFKDRPDGFRA
SCHEMBL1161173 0.83 MST1R (0.58) MST1RMETBRAFKDRPDGFRA
SCHEMBL11028697 0.82 MST1R (0.61) MST1RMETBRAFKDRFLT3
SCHEMBL1161288 0.79 MST1R (0.61) MST1RMETBRAFKDRPDGFRA
SCHEMBL11028905 0.78 KDR (0.59) MST1RBRAFKDRFLT3
SCHEMBL1161339 0.78 MST1R (0.63) MST1RMETBRAFAXLRAB9A
SCHEMBL11028361 0.77 MEN1 (0.44) MST1RMETBRAFKDRPDGFRA

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 4 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
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
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 2790/4885MET 1111/4885BRAF 582/4885

“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.