SCHEMBL11028892

SCHEMBL11028892

CN1Cc2c(Nc3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3F)ccnc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.62
AURKB Q96GD4 3/20 0.49
CHEK2 O96017 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
FLT4 P35916 1/20 0.49
ABL2 P42684 1/20 0.49
BLK P51451 1/20 0.49
LIMK1 P53667 1/20 0.49
MST1R Q04912 1/20 0.40
WDR5 P61964 8/20 0.39

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
SCHEMBL11028907 0.92 AURKA (0.60) AURKAAURKBCHEK2CSF1RRET
SCHEMBL11024954 0.90 AURKA (0.59) AURKAAURKBCHEK2CSF1RRET
SCHEMBL1160859 0.88 AURKA (0.59) AURKAAURKBCHEK2CSF1RRET
SCHEMBL1160856 0.86 AURKA (0.64) AURKAAURKBCHEK2CSF1RRET
SCHEMBL11030774 0.85 AURKA (0.51) AURKAAURKBMST1R
SCHEMBL1161031 0.84 AURKA (0.55) AURKAAURKBCHEK2CSF1RRET
SCHEMBL11032381 0.83 AURKA (0.60) AURKAAURKB
SCHEMBL11028586 0.81 AURKA (0.57) AURKAAURKBCHEK2CSF1RRET
SCHEMBL11027793 0.81 AURKA (0.57) AURKAAURKBCHEK2CSF1RRET
SCHEMBL11028991 0.80 AURKA (0.54) AURKAAURKBCHEK2CSF1RRET

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 446/4885CHEK2 252/4885

“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.