Sugi Predict

Sugi Predict / Compounds / SCHEMBL1909319

SCHEMBL1909319

SCHEMBL1909319

Cn1c2c(c3c1-c1nc(-c4cccc(Br)c4)ncc1CC3)C(=O)NC1(C2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 11/20 0.38
▸ IRAK1 P51617 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CFTR P13569 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ PLK3 Q9H4B4 1/20 0.32
▸ PLK2 Q9NYY3 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ FOS P01100 1/20 0.31
▸ JUN P05412 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL1909123 0.92 MAPKAPK2 (0.47) MAPKAPK2IRAK1CCNA2CDK2PLK1
SCHEMBL1909029 0.91 MAPKAPK2 (0.43) MAPKAPK2IRAK1CCNA2CDK2PLK1
SCHEMBL1909031 0.86 MAPKAPK2 (0.52) MAPKAPK2CCNA2CDK2PLK1CCNA1
SCHEMBL1909279 0.85 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL1909326 0.84 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL1909331 0.81 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1NR1H2
SCHEMBL13957551 0.79 MAPKAPK2 (0.49) MAPKAPK2NR1H2
SCHEMBL1909125 0.78 MAPKAPK2 (0.58) MAPKAPK2
SCHEMBL1909297 0.78 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL1908849 0.78 MAPKAPK2 (0.44) MAPKAPK2CRBNNR1H2

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 MAPKAPK2 480/4885IRAK1 82/4885USP30 3590/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885IRAK1 82/4885USP30 3590/4885

“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.