SCHEMBL423654

SCHEMBL423654

CN1CC(CN)(c2oc3c(c2C(=O)O)CCc2cnc(-c4cccc(F)c4)cc2-3)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.58
KMO O15229 2/20 0.34
HPGDS O60760 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
DHODH Q02127 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP4K4 O95819 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
SCHEMBL431309 0.89 MAPKAPK2 (0.48) MAPKAPK2HPGDS
SCHEMBL428198 0.89 MAPKAPK2 (0.59) MAPKAPK2KMOHPGDSDHODHKDM4E
SCHEMBL428721 0.83 MAPKAPK2 (0.60) MAPKAPK2
SCHEMBL430242 0.76 MAPKAPK2 (0.55) MAPKAPK2KMOHPGDSDHODH
SCHEMBL423563 0.76 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL426528 0.74 MAPKAPK2 (0.56) MAPKAPK2KMOHPGDS
SCHEMBL1909353 0.74 MAPKAPK2 (1.00) MAPKAPK2
SCHEMBL427446 0.73 MAPKAPK2 (0.39) MAPKAPK2KMOKDM4CMAP4K4
SCHEMBL426707 0.73 MAPKAPK2 (0.48) MAPKAPK2KMO
SCHEMBL429348 0.73 MAPKAPK2 (0.58) MAPKAPK2KMO

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 913/4885HPGDS 524/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMO 913/4885HPGDS 524/4885

“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.