SCHEMBL424678

SCHEMBL424678

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.52
EGFR P00533 1/20 0.36
ALPL P05186 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CLK1 P49759 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRS3 P32247 1/20 0.35
MAP4K4 O95819 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CA9 Q16790 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL428126 0.97 MAPKAPK2 (0.54) MAPKAPK2EGFRALPLKDM4EMEN1
SCHEMBL430060 0.91 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL426086 0.90 MAPKAPK2 (0.45) MAPKAPK2ALPLKDM4EMEN1CLK1
SCHEMBL431557 0.88 MAPKAPK2 (0.44) MAPKAPK2ALPLKDM4EMEN1KMT2A
SCHEMBL427334 0.88 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL431509 0.87 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL429719 0.87 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426738 0.87 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL429916 0.86 MAPKAPK2 (0.46) MAPKAPK2ALPLKDM4EMEN1CLK1
SCHEMBL431305 0.86 MAPKAPK2 (0.37) MAPKAPK2CHEK1

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.