SCHEMBL424603

SCHEMBL424603

N#Cc1cccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CC3)c2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.42
KDM1A O60341 1/20 0.37
PRKDC P78527 1/20 0.36
ATR Q13535 1/20 0.36
BRS3 P32247 1/20 0.35
IDO1 P14902 1/20 0.35
PIN1 Q13526 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4B Q07343 1/20 0.35
XDH P47989 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 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
SCHEMBL429912 0.91 MAPKAPK2 (0.40) MAPKAPK2BRS3
SCHEMBL429847 0.89 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL430920 0.88 MAPKAPK2 (0.54) MAPKAPK2ATR
SCHEMBL428122 0.86 MAPKAPK2 (0.38) MAPKAPK2KDM1A
SCHEMBL431382 0.86 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL431305 0.83 MAPKAPK2 (0.37) MAPKAPK2KDM1A
SCHEMBL426540 0.83 ATR (0.41) MAPKAPK2KDM1AATR
SCHEMBL428272 0.83 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL427170 0.83 MAPKAPK2 (0.36) MAPKAPK2PRKDCATRPIN1PDE4A
SCHEMBL428414 0.82 MAPKAPK2 (0.47) 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 480/4885KDM1A 3020/4885PRKDC 1476/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM1A 3020/4885PRKDC 1476/4885

“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.