Sugi Predict

Sugi Predict / Compounds / SCHEMBL429834

SCHEMBL429834

SCHEMBL429834

COc1ccc(-c2cc3c(cn2)CCc2c-3oc(CC3(N)CNC3)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 9/20 0.46
▸ PTGER4 P35408 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALPL P05186 2/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ANO1 Q5XXA6 2/20 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
SCHEMBL426810 0.89 MAPKAPK2 (0.46) MAPKAPK2PTGER4MAP4K4CASP3SENP7
SCHEMBL428864 0.85 GPR119 (0.38) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL425388 0.84 MAPKAPK2 (0.54) MAPKAPK2RXFP1ALPLKDM4EMEN1
SCHEMBL426775 0.83 MAPKAPK2 (0.44) MAPKAPK2PTGER4RXFP1ALPLCA9
SCHEMBL426811 0.83 MAPKAPK2 (0.44) MAPKAPK2PTGER4RXFP1ALPLCA9
SCHEMBL430242 0.83 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL428865 0.79 MAPKAPK2 (0.41) MAPKAPK2PTGER4ALPLKDM4EMEN1
SCHEMBL424677 0.77 MAPKAPK2 (0.51) MAPKAPK2ALPLKDM4EMEN1CLK1
SCHEMBL428125 0.77 MAPKAPK2 (0.53) MAPKAPK2ALPLCA9KDM4EMEN1
SCHEMBL426536 0.76 MAPKAPK2 (0.50) MAPKAPK2PTGER4ALPLKDM4EMEN1

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 5 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
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 480/4885PTGER4 717/4885RXFP1 2781/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PTGER4 717/4885RXFP1 2781/4885

“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.