Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908873

SCHEMBL1908873

SCHEMBL1908873

CC(C)(C)OC(=O)N1CC2(C1)Cn1nc3c(c1C(=O)N2)CCc1cnc(Cl)cc1-3

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 6/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ JAK1 P23458 3/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ SPR P35270 1/20 0.30
▸ PLK1 P53350 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ PLK3 Q9H4B4 1/20 0.30
▸ PLK2 Q9NYY3 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL1908986 0.85 MAPKAPK2 (0.48) MKNK1ACACBMAPKAPK2
SCHEMBL1908836 0.82 MAPKAPK2 (0.34) MAPKAPK2
SCHEMBL1908996 0.81 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL1908849 0.78 MAPKAPK2 (0.44) MKNK1DDB1CRBNNR1H2ACACB
SCHEMBL1909008 0.77 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL1908890 0.77 MAPKAPK2 (0.35) MKNK1DDB1CRBNNR1H2ACACB
SCHEMBL431638 0.74 JAK2 (0.33) NR1H2JAK1JAK2CCNA2CDK2
SCHEMBL1909078 0.73 MAPKAPK2 (0.51) CCNA2CDK2PLK1CCNA1MAPKAPK2
SCHEMBL13957961 0.73 MKNK1 (0.30) MKNK1
SCHEMBL423529 0.72 POLB (0.32) JAK1JAK2CCNA2CDK2CCNA1

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 7 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-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-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
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 MKNK1 187/4885DDB1 4125/4885CRBN 1999/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MKNK1 187/4885DDB1 4125/4885CRBN 1999/4885

“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.