SCHEMBL1161272

SCHEMBL1161272

O=C1NCc2c(Oc3ccc(NC(=O)c4cccc(C(F)(F)F)c4F)cc3F)ccnc2N1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.68
BRAF P15056 2/20 0.49
MET P08581 12/20 0.47
AXL P30530 2/20 0.47
AURKA O14965 2/20 0.46
AURKB Q96GD4 1/20 0.44
LCK P06239 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
DDR2 Q16832 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL11028697 0.82 MST1R (0.61) MST1RBRAFMETKDRFLT3
SCHEMBL1161339 0.82 MST1R (0.63) MST1RBRAFMETAXLAURKA
SCHEMBL14704290 0.81 MST1R (1.00) MST1RBRAFMETAXLKDR
SCHEMBL1160948 0.81 MST1R (0.61) MST1RBRAFMETAXL
SCHEMBL1161236 0.81 MST1R (0.65) MST1RBRAFMETAXL
SCHEMBL11029736 0.80 MST1R (0.60) MST1RBRAFMETAXLKDR
SCHEMBL1160968 0.80 MST1R (0.65) MST1RBRAFMETAXLKDR
SCHEMBL11050470 0.80 MST1R (0.47) MST1RMETAXLAURKAKDR
SCHEMBL1161288 0.79 MST1R (0.61) MST1RBRAFMETAXLKIT
SCHEMBL1160784 0.79 MET (0.68) MST1RMETAXLLCKKIT

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 12 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 claimed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP claimed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US claimed
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO claimed
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

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 2790/4885BRAF 582/4885MET 1111/4885

“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.