SCHEMBL11030882

SCHEMBL11030882

CCN1Cc2c(Nc3ccc(N4CCOCC4)cc3)ccnc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
CDK4 P11802 2/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
MAPK10 P53779 5/20 0.43
MITF O75030 1/20 0.42
RAD52 P43351 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 1/20 0.41
PLK1 P53350 1/20 0.40
AURKA O14965 1/20 0.40
CDK2 P24941 1/20 0.40
AURKB Q96GD4 1/20 0.40
PLK4 O00444 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL1161212 0.90 ADRA2A (0.49) CDK4CCND1CCND2CCND3MITF
SCHEMBL1161157 0.83 IDH1 (0.42) CDK4CCND1CCND2CCND3MITF
SCHEMBL1161133 0.80 JAK2 (0.46) JAK2JAK3TYK2AURKACDK2
SCHEMBL11030401 0.80 SLC2A1 (0.48) SLC2A1CDK4MAPK10MAPK9MAPKAPK2
SCHEMBL1160979 0.79 ROCK1 (0.41) MAPK10MAPK9JAK2JAK3AURKA
SCHEMBL1160821 0.79 ALK (0.40) CDK4CCND1MITFRAD52MAPT
SCHEMBL1161284 0.77 BRD4 (0.38) MAPK10JAK2JAK1
SCHEMBL11030104 0.77 MAPKAPK2 (0.41) MAPKAPK2JAK2
SCHEMBL11027546 0.76 TYK2 (0.42) TYK2AURKACDK2AURKBMAPT
SCHEMBL11032000 0.76 AURKA (0.51) 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 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 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
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 3624/4885CDK4 14/4885CCND1 6/4885

“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.