SCHEMBL427170

SCHEMBL427170

N#Cc1cccc(-c2ncc3c(n2)-c2[nH]c(C(N)C4CCC4)c(C(=O)O)c2CC3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.36
PIN1 Q13526 1/20 0.35
PDE4D Q08499 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4B Q07343 2/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP11B2 P19099 1/20 0.33
EPHX1 P07099 1/20 0.33
PRKDC P78527 1/20 0.33
ATR Q13535 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
ROCK2 O75116 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL427819 0.89 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL430537 0.89 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL428482 0.86 MAPKAPK2 (0.42) MAPKAPK2PIN1PDE4DPDE4APDE4C
SCHEMBL426093 0.85 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL424603 0.83 MAPKAPK2 (0.42) MAPKAPK2PIN1PDE4DPDE4APDE4C
SCHEMBL427169 0.81 MAPKAPK2 (0.37) MAPKAPK2PIN1PDE4DPDE4APDE4C
SCHEMBL428499 0.80 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL431575 0.80 MAPKAPK2 (0.40) MAPKAPK2PDE4BMDM2
SCHEMBL424775 0.77 MAPKAPK2 (0.54) MAPKAPK2PPARA
SCHEMBL430214 0.77 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 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 480/4885PIN1 1243/4885PDE4D 1317/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PIN1 1243/4885PDE4D 1317/4885

“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.