SCHEMBL11031258

SCHEMBL11031258

CN1CCN(c2ccc(Nc3ccnc4c3CNC(=O)N4)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
JAK2 O60674 2/20 0.49
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
MAPKAPK2 P49137 14/20 0.47
NQO1 P15559 2/20 0.45

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
SCHEMBL11030401 0.88 SLC2A1 (0.48) JAK2MAPKAPK2
SCHEMBL1161212 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA2CJAK2RAD52
SCHEMBL11028846 0.78 MAPT (0.42)
SCHEMBL1161296 0.74 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL1160944 0.73 TYK2 (0.45)
SCHEMBL11029715 0.73 PTGS1 (0.41)
SCHEMBL11886918 0.72 CHEK1 (0.40)
SCHEMBL15195873 0.72 PTGS1 (0.42)
SCHEMBL11031533 0.71 AURKA (0.56)
SCHEMBL11034005 0.71 HPGD (0.43) GFER

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 ADRA2A 4056/4885ADRA2B 3595/4885ADRA2C 3380/4885

“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.