SCHEMBL424876

SCHEMBL424876

CC(C)(C)OC(=O)N1CC(CN)(c2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)cc2-3)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.34
ADORA1 P30542 1/20 0.34
MAPKAPK2 P49137 7/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NAMPT P43490 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
ACACB O00763 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
RORC P51449 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
ESR2 Q92731 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
SCHEMBL428945 0.88 MAPKAPK2 (0.34) NR1H2ADORA1MAPKAPK2NAMPTPIK3R1
SCHEMBL424609 0.87 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL431760 0.86 NR1H2 (0.32) NR1H2ADORA1MAPKAPK2ALOX5APFEN1
SCHEMBL429351 0.85 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL430072 0.85 NR1H2 (0.34) NR1H2ADORA1MAPKAPK2NAMPTDDB1
SCHEMBL428429 0.85 MAPKAPK2 (0.33) MAPKAPK2
SCHEMBL425040 0.83 NAMPT (0.32) NR1H2ADORA1NAMPTPIK3R1PIK3CA
SCHEMBL424628 0.83 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL428825 0.81 MAPKAPK2 (0.33) MAPKAPK2
SCHEMBL1908976 0.77 MAPKAPK2 (0.57) 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 NR1H2 945/4885ADORA1 3248/4885MAPKAPK2 480/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 NR1H2 945/4885ADORA1 3248/4885MAPKAPK2 480/4885

“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.