SCHEMBL11030401

SCHEMBL11030401

O=C1NCc2c(Nc3ccc(N4CCOCC4)cc3)ccnc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
MAPK10 P53779 6/20 0.48
MAPK9 P45984 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
PLK4 O00444 3/20 0.43
JAK2 O60674 1/20 0.42
MAP4K1 Q92918 1/20 0.42
AURKA O14965 3/20 0.41
AURKB Q96GD4 2/20 0.41
MAPK8 P45983 2/20 0.41
PLK1 P53350 1/20 0.41
CDK2 P24941 2/20 0.41
CCNE1 P24864 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
CDK4 P11802 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL11031258 0.88 ADRA2A (0.53) MAPKAPK2JAK2
SCHEMBL11030882 0.80 SLC2A1 (0.44) SLC2A1MAPK10MAPK9MAPKAPK2PLK4
SCHEMBL11028846 0.79 MAPT (0.42) MAPK10AURKAAURKBMAPK14
SCHEMBL11033301 0.77 KDR (0.47) PLK4JAK2TYK2
SCHEMBL1161229 0.73 KMT2A (0.38) JAK2
SCHEMBL1161296 0.73 MAPKAPK2 (0.41) MAPKAPK2AURKA
SCHEMBL11031533 0.72 AURKA (0.56) AURKAAURKBMAPK13
SCHEMBL1160944 0.71 TYK2 (0.45) AURKAAURKBMAPK8CDK2TYK2
SCHEMBL11029715 0.71 PTGS1 (0.41) TYK2
SCHEMBL1160805 0.71 PTK6 (0.50)

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 8 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 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 SLC2A1 3624/4885MAPK10 2207/4885MAPK9 1675/4885

“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.