Sugi Predict

Sugi Predict / Compounds / SCHEMBL431338

SCHEMBL431338

SCHEMBL431338

COc1ccc(-c2ncc3c(n2)-c2[nH]c(CC4(N)CN(C(=O)OC(C)(C)C)C4)c(C(=O)O)c2CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 9/20 0.47
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGDS O60760 3/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ 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
SCHEMBL427596 0.92 MAPKAPK2 (0.39) MAPKAPK2HPGDSCCNA2CDK2CCNA1
SCHEMBL424760 0.87 MAPKAPK2 (0.54) MAPKAPK2MAPTKDM4EHTTALDH1A1
SCHEMBL431552 0.86 MAPKAPK2 (0.47) MAPKAPK2HPGDS
SCHEMBL429694 0.86 MAPKAPK2 (0.45) MAPKAPK2MAPTKDM4EHTTALDH1A1
SCHEMBL425909 0.85 MAPKAPK2 (0.53) MAPKAPK2MAPTKDM4EALDH1A1HPGD
SCHEMBL428459 0.85 MAPKAPK2 (0.40) MAPKAPK2MAPTKDM4EHTTALDH1A1
SCHEMBL423514 0.84 MAPKAPK2 (0.50) MAPKAPK2MAPTKDM4EALDH1A1HPGD
SCHEMBL424732 0.78 HPGD (0.36) MAPKAPK2MAPTKDM4EALDH1A1HPGD
SCHEMBL430449 0.78 CCNA2 (0.39) MAPKAPK2CCNA2CDK2CCNA1
SCHEMBL428481 0.77 MAPKAPK2 (0.43) MAPKAPK2KDM4EMEN1KMT2AHSD17B10

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 480/4885MAPT 3072/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MAPT 3072/4885KDM4E 1966/4885

“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.