SCHEMBL426418

SCHEMBL426418

CCOC(=O)CC1(NC(=O)CC(=O)OC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 1/20 0.33
ADORA1 P30542 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADAM17 P78536 1/20 0.32
ATM Q13315 1/20 0.32
NR1H2 P55055 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PIK3R1 P27986 3/20 0.31
PIK3CA P42336 3/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL1909089 0.95 CNR2 (0.37) CNR2L3MBTL1KMT2AALOX15EPHX2
SCHEMBL21886657 0.95 ALOX15 (0.37) CNR2L3MBTL1KMT2AALOX15EPHX2
SCHEMBL429808 0.91 CNR2 (0.42) CNR2EPHX2USP2SMN1; SMN2ADAM17
SCHEMBL34473910 0.83 KMT2A (0.37) L3MBTL1KMT2AALOX15EPHX2ADORA1
SCHEMBL21808041 0.79 KMT2A (0.34) L3MBTL1KMT2AALOX15EPHX2ADORA1
SCHEMBL22427360 0.78 MEN1 (0.41) CNR2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL24906856 0.77 KMT2A (0.40) L3MBTL1KMT2AALOX15EPHX2ADORA1
SCHEMBL18497293 0.76 KMT2A (0.39) L3MBTL1KMT2AALOX15ADORA1USP2
SCHEMBL23326750 0.76 KMT2A (0.42) L3MBTL1KMT2AALOX15ADORA1USP2
SCHEMBL980372 0.76 ADORA1 (0.39) L3MBTL1KMT2AALOX15ADORA1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CNR2 2249/4885L3MBTL1 3821/4885KMT2A 763/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CNR2 2249/4885L3MBTL1 3821/4885KMT2A 763/4885

“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.