SCHEMBL428226

SCHEMBL428226

COc1cc(OC)cc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CNC4)n(C)c2-3)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.36
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALPL P05186 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNA2 P20248 6/20 0.31
CDK2 P24941 6/20 0.31
CCNA1 P78396 6/20 0.31
AURKA O14965 4/20 0.31
NEK2 P51955 1/20 0.31
PLK1 P53350 2/20 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
SCHEMBL426869 0.93 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426775 0.93 MAPKAPK2 (0.44) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL426728 0.89 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL427356 0.88 MAPKAPK2 (0.39) MAPKAPK2MEN1KMT2ANEK2PLK1
SCHEMBL429121 0.86 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL431103 0.86 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL426978 0.85 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL425976 0.85 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL431130 0.84 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL427603 0.84 MAPKAPK2 (0.36) MAPKAPK2

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 480/4885KDM4E 1966/4885MEN1 1175/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885MEN1 1175/4885

“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.