SCHEMBL11028078

SCHEMBL11028078

O=C(Nc1ccc(Nc2ccnc3c2CN(c2ccccc2)C(=O)N3)c(F)c1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.57
AURKB Q96GD4 1/20 0.47
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
MET P08581 1/20 0.42
KCNK3 O14649 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL11032381 0.87 AURKA (0.60) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL1160997 0.83 AURKA (0.62) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL11031640 0.80 AURKA (0.53) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL11028898 0.76 AURKA (0.59) AURKAAURKBMST1R
SCHEMBL11886912 0.76 AURKA (0.56) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL11030774 0.75 AURKA (0.51) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL15195869 0.75 AURKA (0.54) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL13273656 0.73 AURKA (1.00) AURKAAURKB
SCHEMBL1160911 0.72 AURKA (0.57) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL11886910 0.71 AURKA (0.43) AURKAAURKBNPC1RAB9A

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 446/4885NPC1 1489/4885

“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.