Sugi Predict

Sugi Predict / Compounds / SCHEMBL428459

SCHEMBL428459

SCHEMBL428459

COc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CN(C(=O)OC(C)(C)C)C4)n2C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.40
▸ CCNA2 P20248 9/20 0.38
▸ CDK2 P24941 9/20 0.38
▸ CCNA1 P78396 9/20 0.38
▸ AURKA O14965 5/20 0.37
▸ MAPT P10636 3/20 0.36
▸ PLK1 P53350 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL424732 0.94 HPGD (0.36) MAPKAPK2CCNA2CDK2CCNA1MAPT
SCHEMBL430449 0.92 CCNA2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL424939 0.86 IRAK1 (0.34) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL428386 0.86 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL424671 0.86 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1MAPT
SCHEMBL428910 0.86 MAPKAPK2 (0.45) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL431338 0.85 MAPKAPK2 (0.47) MAPKAPK2CCNA2CDK2CCNA1MAPT
SCHEMBL429822 0.79 MAPKAPK2 (0.38) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL427596 0.77 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL427206 0.77 ADORA1 (0.31) CCNA2CDK2GPR119

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.