SCHEMBL1160997

SCHEMBL1160997

O=C1NCc2c(Nc3ccc(NC(=O)c4cccc(F)c4)cc3F)ccnc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.62
AURKB Q96GD4 1/20 0.49
MST1R Q04912 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42

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
SCHEMBL1160847 0.85 AURKA (0.53) AURKAAURKBMST1RNPC1RAB9A
SCHEMBL11032381 0.85 AURKA (0.60) AURKAAURKBNPC1RAB9ADYRK3
SCHEMBL1161339 0.83 MST1R (0.63) AURKAAURKBMST1RNPC1RAB9A
SCHEMBL11028078 0.83 AURKA (0.57) AURKAAURKBMST1RNPC1RAB9A
SCHEMBL1160856 0.82 AURKA (0.64) AURKAAURKBMST1R
SCHEMBL11031533 0.78 AURKA (0.56) AURKAAURKB
SCHEMBL11026897 0.78 PTGS1 (0.41) NPC1RAB9ACLK2DYRK1ACLK4
SCHEMBL11031640 0.77 AURKA (0.53) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL13273656 0.77 AURKA (1.00) AURKAAURKB
SCHEMBL11886912 0.76 AURKA (0.56) AURKAAURKBNPC1RAB9AROCK2

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 9 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
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO 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-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 446/4885MST1R 2790/4885

“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.