SCHEMBL428945

SCHEMBL428945

CC(C)(C)OC(=O)N1CC(c2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)cc2-3)(C2(N)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.34
NR1H2 P55055 2/20 0.33
ADORA1 P30542 1/20 0.33
ACACB O00763 1/20 0.31
NAMPT P43490 1/20 0.31
SCD5 Q86SK9 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL424876 0.88 NR1H2 (0.34) MAPKAPK2NR1H2ADORA1ACACBNAMPT
SCHEMBL425763 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428451 0.84 MAPKAPK2 (0.49) MAPKAPK2
SCHEMBL430567 0.84 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL431540 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL431760 0.84 NR1H2 (0.32) MAPKAPK2NR1H2ADORA1ACACBNAMPT
SCHEMBL426538 0.82 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL1908848 0.79 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL1908976 0.77 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL1909327 0.75 MAPKAPK2 (0.42) MAPKAPK2NR1H2

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 3 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
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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 480/4885NR1H2 945/4885ADORA1 3248/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885NR1H2 945/4885ADORA1 3248/4885

“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.