SCHEMBL11028172

SCHEMBL11028172

CN1Cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.53
AURKB Q96GD4 7/20 0.53
MAPK13 O15264 1/20 0.53
CHEK2 O96017 1/20 0.53
NTRK1 P04629 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT4 P35916 1/20 0.53
LIMK1 P53667 1/20 0.53
SIK1 P57059 1/20 0.53
TNK2 Q07912 1/20 0.53
WNK3 Q9BYP7 1/20 0.53
DNMT1 P26358 4/20 0.47
DNMT3A Q9Y6K1 3/20 0.47
DNMT3L Q9UJW3 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL11032000 0.87 AURKA (0.51) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL11030391 0.86 AURKA (0.49) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL1161096 0.85 AURKA (0.51) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL11030862 0.84 AURKA (0.47) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL1160863 0.82 AURKA (0.49) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL11031533 0.82 AURKA (0.56) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL11886910 0.81 AURKA (0.43) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL1161182 0.80 AURKA (0.51) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL11027611 0.80 NAMPT (0.41)
SCHEMBL11032381 0.80 AURKA (0.60) 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 10 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
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 446/4885MAPK13 1022/4885

“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.