Sugi Predict

Sugi Predict / Compounds / SCHEMBL424732

SCHEMBL424732

SCHEMBL424732

CCOc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CN(C(=O)OC(C)(C)C)C4)n2C)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ MAPKAPK2 P49137 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ CCNA2 P20248 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CCNA1 P78396 4/20 0.32

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
SCHEMBL428459 0.94 MAPKAPK2 (0.40) HPGDMAPTKDM4EMEN1ALDH1A1
SCHEMBL430449 0.87 CCNA2 (0.39) MAPK1MAPKAPK2CCNA2CDK2CCNA1
SCHEMBL428386 0.86 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL424939 0.86 IRAK1 (0.34) MEN1KMT2AMAPKAPK2CCNA2CDK2
SCHEMBL429822 0.86 MAPKAPK2 (0.38) HPGDMAPTKDM4EMEN1ALDH1A1
SCHEMBL424671 0.80 MAPKAPK2 (0.39) HPGDMAPTKDM4EMEN1USP2
SCHEMBL428910 0.79 MAPKAPK2 (0.45) KDM4EALDH1A1MAPKAPK2CCNA2CDK2
SCHEMBL431338 0.78 MAPKAPK2 (0.47) HPGDMAPTKDM4EMEN1ALDH1A1
SCHEMBL424733 0.78 MAPKAPK2 (0.34) HPGDMAPTKDM4EMEN1USP2
SCHEMBL1909279 0.77 MAPKAPK2 (0.44) HPGDMAPTKDM4EMEN1USP2

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 HPGD 779/4885MAPT 3072/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 HPGD 779/4885MAPT 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.