SCHEMBL9905428

SCHEMBL9905428

CCN1Cc2c(Oc3ccc(N)cc3F)ccnc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.38
MST1R Q04912 3/20 0.37
BRD4 O60885 2/20 0.34
ENPP1 P22413 1/20 0.34
KDR P35968 5/20 0.33
KIT P10721 3/20 0.33
MET P08581 6/20 0.33
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
EGFR P00533 1/20 0.32
RET P07949 2/20 0.32
PDGFRA P16234 2/20 0.32
FLT3 P36888 2/20 0.32
IDH1 O75874 1/20 0.32
PLK4 O00444 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
PRKACA P17612 1/20 0.31
ABL2 P42684 1/20 0.31

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
SCHEMBL11027724 0.88 MST1R (0.37) AXLMST1RBRD4ENPP1KDR
SCHEMBL11028432 0.87 AXL (0.38) AXLMST1RBRD4ENPP1KDR
SCHEMBL12873343 0.86 MST1R (0.45) AXLMST1RKDRKITMET
SCHEMBL9905427 0.86 MST1R (0.39) AXLMST1RBRD4METRAF1
SCHEMBL11030059 0.85 GAA (0.39) AXLMST1RMETRAF1BRAF
SCHEMBL11029672 0.85 MST1R (0.38) MST1RBRAFEGFRIDH1
SCHEMBL12873228 0.84 MST1R (0.46) AXLMST1RKDRKITMET
SCHEMBL12873243 0.84 AURKA (0.42) RAF1BRAFEGFRIDH1DDR2
SCHEMBL1161162 0.82 BRAF (0.38) ENPP1RAF1BRAFEGFR
SCHEMBL1161052 0.81 MST1R (0.47) AXLMST1RKDRMETRAF1

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
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
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

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 1732/4885MST1R 2790/4885BRD4 158/4885

“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.