SCHEMBL11029771

SCHEMBL11029771

CCN1Cc2c(Oc3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3F)ccnc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.45
MST1R Q04912 2/20 0.43
PDGFRA P16234 2/20 0.42
KDR P35968 2/20 0.42
HSPA9 P38646 2/20 0.40
AXL P30530 1/20 0.39
BRAF P15056 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FLT3 P36888 2/20 0.38
POLB P06746 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
SCHEMBL11028361 0.93 MEN1 (0.44) METMST1RPDGFRAKDRBRAF
SCHEMBL12873281 0.93 MST1R (0.43) METMST1RPDGFRAKDRAXL
SCHEMBL11034017 0.90 MET (0.48) METMST1RPDGFRAKDRAXL
SCHEMBL11030933 0.89 MST1R (0.51) METMST1RKDRAXLBRAF
SCHEMBL1161052 0.89 MST1R (0.47) METMST1RPDGFRAKDRAXL
SCHEMBL11031594 0.89 MET (0.49) METMST1RPDGFRAKDRAXL
SCHEMBL12873343 0.89 MST1R (0.45) METMST1RPDGFRAKDRAXL
SCHEMBL11028442 0.88 RAF1 (0.48) METMST1RPDGFRAKDRAXL
SCHEMBL11032165 0.87 MST1R (0.44) METMST1RPDGFRAKDRAXL
SCHEMBL11031228 0.87 MST1R (0.44) METMST1RPDGFRAKDRAXL

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 3 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

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 MET 1111/4885MST1R 2790/4885PDGFRA 3238/4885

“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.