SCHEMBL11028596

SCHEMBL11028596

COc1ccc(CN2Cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)ccnc3NC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
RIPK3 Q9Y572 4/20 0.58
RIPK1 Q13546 3/20 0.58
LCK P06239 1/20 0.58
KIT P10721 1/20 0.58
KDR P35968 1/20 0.58
FLT3 P36888 1/20 0.58
AXL P30530 4/20 0.58
TYRO3 Q06418 2/20 0.57
MERTK Q12866 2/20 0.57
RIPK2 O43353 2/20 0.55

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
SCHEMBL11024939 0.89 MET (0.64) METCYP3A4CYP2C9RIPK3RIPK1
SCHEMBL11888357 0.88 AURKA (0.49) METRIPK3RIPK1LCKKIT
SCHEMBL1160885 0.87 MET (0.62) METCYP3A4CYP2C9RIPK3RIPK1
SCHEMBL11028938 0.86 MET (0.60) METCYP3A4CYP2C9RIPK3RIPK1
SCHEMBL11027298 0.84 KDR (0.46) METCYP3A4CYP2C9RIPK3RIPK1
SCHEMBL11029810 0.84 MEN1 (0.46) METKDRAXL
SCHEMBL11050470 0.84 MST1R (0.47) METKDRAXL
SCHEMBL11030863 0.83 MST1R (0.47) METKDRAXL
SCHEMBL11031908 0.83 MST1R (0.45) METKDR
SCHEMBL15552902 0.83 MET (0.70) METCYP3A4CYP2C9RIPK3RIPK1

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
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 MET 1111/4885CYP3A4 1640/4885CYP2C9 1819/4885

“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.