SCHEMBL431552

SCHEMBL431552

CC(C)(C)OC(=O)N1CC(N)(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cccc(F)c4)nc2-3)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.47
HPGDS O60760 4/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
IRAK1 P51617 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL427596 0.92 MAPKAPK2 (0.39) MAPKAPK2HPGDSUSP30
SCHEMBL430036 0.88 MAPKAPK2 (0.58) MAPKAPK2
SCHEMBL427483 0.87 MAPKAPK2 (0.51) MAPKAPK2HPGDSALOX5APFEN1IRAK1
SCHEMBL426556 0.87 MAPKAPK2 (0.46) MAPKAPK2HPGDSALOX5APFEN1MKNK1
SCHEMBL431338 0.86 MAPKAPK2 (0.47) MAPKAPK2HPGDS
SCHEMBL426092 0.86 MAPKAPK2 (0.49) MAPKAPK2HPGDS
SCHEMBL428386 0.85 MAPKAPK2 (0.40) MAPKAPK2HPGDSALOX5APFEN1IRAK1
SCHEMBL431524 0.84 MAPKAPK2 (0.50) MAPKAPK2HPGDS
SCHEMBL427818 0.84 MAPKAPK2 (0.48) MAPKAPK2HPGDS
SCHEMBL424590 0.84 MAPKAPK2 (0.48) MAPKAPK2

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 MAPKAPK2 480/4885HPGDS 524/4885ALOX5AP 3452/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885HPGDS 524/4885ALOX5AP 3452/4885

“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.