SCHEMBL431309

SCHEMBL431309

CC(C)(C)OC(=O)N1CC(CN)(c2oc3c(c2C(=O)O)CCc2cnc(-c4cccc(F)c4)cc2-3)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.48
GPR119 Q8TDV5 7/20 0.35
CCNT1 O60563 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
CDK9 P50750 1/20 0.32
HPGDS O60760 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
SCHEMBL423654 0.89 MAPKAPK2 (0.58) MAPKAPK2HPGDS
SCHEMBL423563 0.86 MAPKAPK2 (0.46) MAPKAPK2GPR119CCNT1ALOX5APFEN1
SCHEMBL425040 0.85 NAMPT (0.32)
SCHEMBL428198 0.84 MAPKAPK2 (0.59) MAPKAPK2HPGDS
SCHEMBL1909052 0.80 MAPKAPK2 (0.77) MAPKAPK2
SCHEMBL426556 0.78 MAPKAPK2 (0.46) MAPKAPK2CCNT1ALOX5APFEN1MKNK1
SCHEMBL1909138 0.76 MAPKAPK2 (0.53) MAPKAPK2GPR119CCNT1
SCHEMBL428451 0.76 MAPKAPK2 (0.49) MAPKAPK2ALOX5APFEN1
SCHEMBL427483 0.76 MAPKAPK2 (0.51) MAPKAPK2CCNT1ALOX5APFEN1HPGDS
SCHEMBL423564 0.75 MAPKAPK2 (0.48) MAPKAPK2HPGDS

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 480/4885GPR119 1225/4885CCNT1 328/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885GPR119 1225/4885CCNT1 328/4885

“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.