SCHEMBL11029916

SCHEMBL11029916

CN1Cc2c(Nc3ccc(NC(=O)c4cccc(F)c4F)c(F)c3)ccnc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.51
AURKB Q96GD4 3/20 0.47
ENPP1 P22413 3/20 0.39
GRM4 Q14833 1/20 0.39
CRACR2A Q9BSW2 2/20 0.39
MET P08581 4/20 0.38
NTRK1 P04629 2/20 0.37
FLT3 P36888 2/20 0.37
DCLK1 O15075 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36

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
SCHEMBL11030774 0.86 AURKA (0.51) AURKAAURKBGRM4METMST1R
SCHEMBL11032381 0.79 AURKA (0.60) AURKAAURKBENPP1DYRK3ROCK2
SCHEMBL11028892 0.77 AURKA (0.62) AURKAAURKBCSF1RFLT4BLK
SCHEMBL11028907 0.74 AURKA (0.60) AURKAAURKBCSF1RFLT4BLK
SCHEMBL11028172 0.74 AURKA (0.53) AURKAAURKBNTRK1FLT4
SCHEMBL11030594 0.71 ENPP1 (0.38) AURKAAURKBENPP1
SCHEMBL1160847 0.70 AURKA (0.53) AURKAAURKBGRM4MST1R
SCHEMBL11031294 0.70 KDM4E (0.45) AURKAAURKBGRM4MET
SCHEMBL11027611 0.69 NAMPT (0.41) ENPP1
SCHEMBL2451843 0.68 AURKA (1.00) AURKAAURKB

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 11 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
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 AURKA 566/4885AURKB 446/4885ENPP1 2189/4885

“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.