Sugi Predict

Sugi Predict / Compounds / SCHEMBL428386

SCHEMBL428386

SCHEMBL428386

Cn1c(CC2(N)CN(C(=O)OC(C)(C)C)C2)c(C(=O)O)c2c1-c1nc(-c3cccc(F)c3)ncc1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.40
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ PLK3 Q9H4B4 1/20 0.34
▸ PLK2 Q9NYY3 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ HPGDS O60760 4/20 0.33
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ PIK3R1 P27986 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ GRIN1 Q05586 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
SCHEMBL424939 0.92 IRAK1 (0.34) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL430449 0.91 CCNA2 (0.39) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL431842 0.89 MAPKAPK2 (0.48) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL428459 0.86 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL424732 0.86 HPGD (0.36) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL424681 0.85 MAPKAPK2 (0.46) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL431552 0.85 MAPKAPK2 (0.47) MAPKAPK2IRAK1HPGDSCKS1BSKP1
SCHEMBL427483 0.78 MAPKAPK2 (0.51) MAPKAPK2IRAK1HPGDSALOX5APFEN1
SCHEMBL428387 0.78 MAPKAPK2 (0.42) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL429802 0.78 GPR119 (0.34) —

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 480/4885CCNA2 23/4885CDK2 32/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CCNA2 23/4885CDK2 32/4885

“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.