SCHEMBL426086

SCHEMBL426086

COc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.45
CYP11B2 P19099 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
JAK3 P52333 1/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALPL P05186 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL429916 0.97 MAPKAPK2 (0.46) MAPKAPK2CYP11B2HDAC8MKNK1MKNK2
SCHEMBL426416 0.91 MAPKAPK2 (0.57) MAPKAPK2CYP11B2
SCHEMBL424678 0.90 MAPKAPK2 (0.52) MAPKAPK2CLK1KDM4EMEN1ALPL
SCHEMBL428742 0.89 MAPKAPK2 (0.38) MAPKAPK2CYP11B2HDAC8
SCHEMBL431401 0.88 MAPKAPK2 (0.39) MAPKAPK2CYP11B2CYP11B1
SCHEMBL428126 0.86 MAPKAPK2 (0.54) MAPKAPK2CLK1KDM4EMEN1ALPL
SCHEMBL430060 0.86 MAPKAPK2 (0.42) MAPKAPK2HDAC8MKNK1MKNK2
SCHEMBL430554 0.86 MAPKAPK2 (0.37) MAPKAPK2CYP11B2JAK3DYRK1ACYP11B1
SCHEMBL430923 0.85 MAPKAPK2 (0.39) MAPKAPK2CYP11B2HDAC8
SCHEMBL428272 0.85 MAPKAPK2 (0.40) MAPKAPK2CYP11B2CYP11B1

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 480/4885CYP11B2 2079/4885HDAC8 1934/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP11B2 2079/4885HDAC8 1934/4885

“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.