Sugi Predict

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SCHEMBL427133

SCHEMBL427133

COc1ccc(-c2cc3c(cn2)CCc2c-3nn(CC3(N)CN(C(=O)OC(C)(C)C)C3)c2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 6/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL426464 0.90 MAPKAPK2 (0.41) MAPKAPK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL428870 0.86 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL431638 0.85 JAK2 (0.33) JAK2JAK1
SCHEMBL429800 0.85 MAPKAPK2 (0.47) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL428864 0.80 GPR119 (0.38) MAPKAPK2KDM4EALDH1A1HPGDHTT
SCHEMBL429694 0.79 MAPKAPK2 (0.45) MAPKAPK2KDM4EALDH1A1HPGDHTT
SCHEMBL424671 0.79 MAPKAPK2 (0.39) MAPKAPK2KDM4EALDH1A1HPGDHTT
SCHEMBL1908986 0.77 MAPKAPK2 (0.48) MAPKAPK2KDM4EALDH1A1HPGDHTT
SCHEMBL425962 0.76 MAPKAPK2 (0.32) MAPKAPK2
Trifluoroacetic Acid SCHEMBL6793949 0.76 MAPKAPK2 (0.41) MAPKAPK2KDM4EALDH1A1HPGDHSD17B10

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 480/4885KDM4E 1966/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885ALDH1A1 3295/4885

“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.