SCHEMBL426693

SCHEMBL426693

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C3CCC3N)c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.51
EGFR P00533 1/20 0.37
ALPL P05186 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CLK1 P49759 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NEK2 P51955 1/20 0.35
CA9 Q16790 1/20 0.35
MAP4K4 O95819 1/20 0.34
DPP4 P27487 1/20 0.34
DHODH Q02127 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL431749 0.93 MAPKAPK2 (0.53) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL429668 0.82 MAPKAPK2 (0.51) MAPKAPK2DHODH
SCHEMBL428126 0.81 MAPKAPK2 (0.54) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL424673 0.80
SCHEMBL424678 0.79 MAPKAPK2 (0.52) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL428125 0.78 MAPKAPK2 (0.53) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL425977 0.77 MAPKAPK2 (0.56) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL1909198 0.77 MAPKAPK2 (0.62) MAPKAPK2EGFR
SCHEMBL424677 0.77 MAPKAPK2 (0.51) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL425388 0.77 MAPKAPK2 (0.54) MAPKAPK2EGFRALPLKDM4EMEN1

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 480/4885EGFR 675/4885ALPL 2689/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885EGFR 675/4885ALPL 2689/4885

“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.