SCHEMBL11029277

SCHEMBL11029277

CCN1Cc2c(Nc3ccc(OC(F)(F)F)c(Br)c3)ccnc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
PTK6 Q13882 2/20 0.35
TRPV1 Q8NER1 2/20 0.33
PDE2A O00408 3/20 0.33
DDR2 Q16832 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
EGFR P00533 1/20 0.31
S1PR2 O95136 1/20 0.31
MST1R Q04912 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
PLK1 P53350 3/20 0.30
FLT3 P36888 1/20 0.30
BUB1 O43683 1/20 0.30

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
SCHEMBL1160852 0.84 PTGS1 (0.38) PTK6EGFRPTGS1PTGS2PDGFRB
SCHEMBL27878920 0.83 EPHX2 (0.37) EPHX2PTK6TRPV1PDE2AMBOAT4
SCHEMBL11028473 0.83 PTK6 (0.36) PTK6EGFRPTGS1PTGS2PDGFRB
SCHEMBL11031965 0.82 MST1R (0.38) EPHX2PTK6TRPV1PDE2ADDR2
SCHEMBL1161053 0.79 TAS2R14 (0.40) PDGFRBKDR
SCHEMBL1161157 0.78 IDH1 (0.42) EGFRPTGS1PTGS2BUB1
SCHEMBL11027546 0.78 TYK2 (0.42) PDGFRBKDR
SCHEMBL1161228 0.77 GRM4 (0.39) PTK6EGFRPDGFRBKDR
SCHEMBL11026605 0.77 PTK6 (0.45) PTK6EGFRPTGS1PTGS2KDR
SCHEMBL11029512 0.77 CDK4 (0.40) EGFRPTGS1PTGS2BUB1

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 EPHX2 2987/4885PTK6 3659/4885TRPV1 4831/4885

“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.