Sugi Predict

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SCHEMBL425388

SCHEMBL425388

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CNC3)c2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 14/20 0.54
▸ MPL P40238 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL428125 0.93 MAPKAPK2 (0.53) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL424677 0.91 MAPKAPK2 (0.51) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL426536 0.91 MAPKAPK2 (0.50) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL427166 0.90 MAPKAPK2 (0.55) MAPKAPK2MPLKDM4EMEN1ALPL
SCHEMBL431556 0.85 MAPKAPK2 (0.44) MAPKAPK2MPLKDM4EALPLHSD17B10
SCHEMBL429694 0.85 MAPKAPK2 (0.45) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL431688 0.84 MAPKAPK2 (0.55) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL429834 0.84 MAPKAPK2 (0.46) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL425909 0.84 MAPKAPK2 (0.53) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL429915 0.83 MAPKAPK2 (0.47) MAPKAPK2KDM4EMEN1ALPLCLK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US claimed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US claimed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO claimed
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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO 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 132/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MPL 132/4885KDM4E 1966/4885

“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.