SCHEMBL428482

SCHEMBL428482

COc1cccc(-c2ncc3c(n2)-c2[nH]c(C(N)C4CCC4)c(C(=O)O)c2CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.42
GRM5 P41594 3/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
AURKA O14965 1/20 0.35
PLK1 P53350 1/20 0.35
PIN1 Q13526 1/20 0.35
DHODH Q02127 1/20 0.35
NEK2 P51955 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 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
SCHEMBL427819 0.88 MAPKAPK2 (0.46) MAPKAPK2GRM5DHODH
SCHEMBL424775 0.87 MAPKAPK2 (0.54) MAPKAPK2MAPTPPARACYP1A2KDM4E
SCHEMBL427170 0.86 MAPKAPK2 (0.36) MAPKAPK2PPARGPPARAPIN1PDE4A
SCHEMBL431575 0.86 MAPKAPK2 (0.40) MAPKAPK2PDE4B
SCHEMBL426093 0.84 MAPKAPK2 (0.47) MAPKAPK2DHODH
SCHEMBL428481 0.80 MAPKAPK2 (0.43) MAPKAPK2KDM4ELMNAHSD17B10CCNA2
SCHEMBL424678 0.79 MAPKAPK2 (0.52) MAPKAPK2KDM4EHSD17B10
SCHEMBL430214 0.78 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL428499 0.78 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426086 0.77 MAPKAPK2 (0.45) MAPKAPK2CYP1A2KDM4EHSD17B10

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 480/4885GRM5 3105/4885MAPT 3072/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885GRM5 3105/4885MAPT 3072/4885

“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.