Sugi Predict

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SCHEMBL427904

SCHEMBL427904

CC(O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ ESR2 Q92731 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTR7 P34969 5/20 0.34
▸ HTR1A P08908 4/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ NPY2R P49146 4/20 0.33
▸ AR P10275 1/20 0.32
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL430134 0.91 ESR2 (0.36) LMNAESR2GAAALDH1A1MAPT
SCHEMBL429388 0.84 GAA (0.39) LMNAESR2GAAALDH1A1MAPT
SCHEMBL459256 0.84 ALDH1A1 (0.48) LMNAESR2GAAALDH1A1MAPT
SCHEMBL426180 0.82 MAPK1 (0.46) LMNAESR2GAAALDH1A1MAPT
SCHEMBL426688 0.81 LMNA (0.58) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL28509985 0.81 GAA (0.45) LMNAESR2GAAALDH1A1MAPT
SCHEMBL3753301 0.81 ALDH1A1 (0.39) LMNAESR2GAAALDH1A1MAPT
SCHEMBL427905 0.81 LMNA (0.45) LMNAESR2GAAALDH1A1MAPT
SCHEMBL17289887 0.78 TBK1 (0.41) LMNAESR2GAAALDH1A1SMN1; SMN2
SCHEMBL12330975 0.77 USP30 (0.45) LMNAALDH1A1MAPT

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 LMNA 3998/4885ESR2 612/4885GAA 706/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LMNA 3998/4885ESR2 612/4885GAA 706/4885

“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.