SCHEMBL11031965

SCHEMBL11031965

O=C1NCc2c(Nc3ccc(OC(F)(F)F)c(Br)c3)ccnc2N1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 2/20 0.38
DDR2 Q16832 1/20 0.37
BRAF P15056 4/20 0.34
RAF1 P04049 1/20 0.34
PDE2A O00408 1/20 0.34
PTK6 Q13882 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 2/20 0.32
EPHX2 P34913 1/20 0.32
TYK2 P29597 1/20 0.32
KIF11 P52732 1/20 0.31
BUB1 O43683 1/20 0.31
RIPK2 O43353 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
SCHEMBL11029277 0.82 EPHX2 (0.36) MST1RDDR2PDE2APTK6PDGFRB
SCHEMBL11029715 0.81 PTGS1 (0.41) MST1RBRAFRAF1PTK6PDGFRB
SCHEMBL11029640 0.77 TAS2R14 (0.43) MST1RDDR2BRAFPTK6PDGFRB
SCHEMBL11028846 0.76 MAPT (0.42) MST1RPTGS1PTGS2
SCHEMBL27878920 0.75 EPHX2 (0.37) PDE2APTK6TRPV1EPHX2
SCHEMBL1160805 0.75 PTK6 (0.50) PTK6PTGS1PTGS2BUB1
SCHEMBL1160944 0.75 TYK2 (0.45) MST1RBRAFPTK6PDGFRBKDR
SCHEMBL1161206 0.74 GRM4 (0.42) PTK6PDGFRBKDRRIPK2
SCHEMBL11026897 0.74 PTGS1 (0.41) KDRPTGS1PTGS2BUB1
SCHEMBL1160954 0.72 ERBB2 (0.49) PTK6KDRPTGS1PTGS2

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
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 2790/4885DDR2 4285/4885BRAF 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.