SCHEMBL427446

SCHEMBL427446

CN1CC(CN)(c2c(C(=O)O)c3c(n2C)-c2cc(-c4cccc(Cl)c4)ncc2CC3)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.39
KMO O15229 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
GRM5 P41594 5/20 0.32
MAP4K4 O95819 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SCN9A Q15858 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL431643 0.91 MAPKAPK2 (0.41) MAPKAPK2KMOSMN1; SMN2KDM4CGRM5
SCHEMBL424875 0.85 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL428672 0.84 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL426707 0.84 MAPKAPK2 (0.48) MAPKAPK2KMO
SCHEMBL428925 0.83 MAPKAPK2 (0.57) MAPKAPK2SMN1; SMN2
SCHEMBL426974 0.83 MAPKAPK2 (0.38) MAPKAPK2MAP4K4
SCHEMBL427137 0.82 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL424105 0.76 MAPKAPK2 (0.46) MAPKAPK2KMOKDM4C
SCHEMBL429038 0.76 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL426601 0.76 MAPKAPK2 (0.48) MAPKAPK2KDM4C

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 480/4885KMO 913/4885SMN1; SMN2 3099/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMO 913/4885SMN1; SMN2 3099/4885

“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.