SCHEMBL430505

SCHEMBL430505

COc1cccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)COC3)c2C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.41
MPL P40238 1/20 0.38
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALPL P05186 1/20 0.35
CLK1 P49759 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HASPIN Q8TF76 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PIN1 Q13526 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
SCHEMBL426536 0.92 MAPKAPK2 (0.50) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL431096 0.90 MPL (0.42) MAPKAPK2MPL
SCHEMBL427948 0.88 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL426685 0.88 MAPKAPK2 (0.50) MAPKAPK2MPL
SCHEMBL430684 0.86 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL430694 0.86 MPL (0.44) MAPKAPK2MPLPIN1
SCHEMBL431415 0.85 MAPKAPK2 (0.46) MAPKAPK2MPL
SCHEMBL428125 0.84 MAPKAPK2 (0.53) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL425388 0.82 MAPKAPK2 (0.54) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL424677 0.82 MAPKAPK2 (0.51) MAPKAPK2MPLKDM4EMEN1ALPL

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 480/4885MPL 132/4885PDE4B 1832/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MPL 132/4885PDE4B 1832/4885

“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.