SCHEMBL425984

SCHEMBL425984

COc1ccc(-c2ncc3c(n2)C2=C(CC3)C(C(=O)O)=C(CC3(NC(=O)OC(C)(C)C)CCC3)[N+]2=N)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.36
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL425982 0.88 BRD4 (0.34)
SCHEMBL425985 0.74 MAPKAPK2 (0.48) MAPKAPK2PPARDPPARAKDM4EALDH1A1
SCHEMBL425983 0.63 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL1908842 0.61 MAPKAPK2 (0.60) MAPKAPK2MAPT
SCHEMBL431338 0.61 MAPKAPK2 (0.47) MAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL32687673 0.61 ANPEP (0.43) ALDH1A1MAPT
SCHEMBL428459 0.60 MAPKAPK2 (0.40) MAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL424760 0.60 MAPKAPK2 (0.54) MAPKAPK2PPARDPPARAKDM4EALDH1A1
SCHEMBL426427 0.59 MAPKAPK2 (0.52) MAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL426439 0.58 MAPKAPK2 (0.58) MAPKAPK2PPARDPPARAKDM4EALDH1A1

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 480/4885PPARD 2261/4885PPARA 3570/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PPARD 2261/4885PPARA 3570/4885

“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.