SCHEMBL427356

SCHEMBL427356

COc1ccc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CNC4)n(C)c2-3)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.39
PIK3CA P42336 1/20 0.35
ATR Q13535 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
NEK2 P51955 1/20 0.33
DHODH Q02127 1/20 0.33
FYN P06241 1/20 0.33
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL426775 0.90 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2APLK1
SCHEMBL426728 0.90 MAPKAPK2 (0.37) MAPKAPK2PIK3CAFYN
SCHEMBL428226 0.88 MAPKAPK2 (0.36) MAPKAPK2MEN1KMT2ANEK2PLK1
SCHEMBL431103 0.87 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL425976 0.86 MAPKAPK2 (0.43) MAPKAPK2MAPTDHODH
SCHEMBL429121 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431130 0.85 MAPKAPK2 (0.44) MAPKAPK2FYN
SCHEMBL426978 0.85 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL426985 0.83 MAPKAPK2 (0.36) MAPKAPK2ATR
SCHEMBL430274 0.83 CNR2 (0.36) MAPKAPK2PIK3CAFYN

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 480/4885PIK3CA 338/4885ATR 820/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PIK3CA 338/4885ATR 820/4885

“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.