SCHEMBL424775

SCHEMBL424775

COc1ccc(-c2ncc3c(n2)-c2[nH]c(C(N)C4CC4)c(C(=O)O)c2CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.54
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CCNA2 P20248 5/20 0.35
CDK2 P24941 5/20 0.35
CCNA1 P78396 5/20 0.35
AURKA O14965 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
ALPL P05186 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL428482 0.87 MAPKAPK2 (0.42) MAPKAPK2PPARAKDM4ECCNA2CDK2
SCHEMBL428126 0.84 MAPKAPK2 (0.54) MAPKAPK2KDM4EMEN1KMT2AALPL
SCHEMBL431575 0.84 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL425424 0.83 MAPKAPK2 (0.56) MAPKAPK2KDM4EALDH1A1GAA
SCHEMBL426093 0.82 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL428553 0.81 MAPKAPK2 (0.53) MAPKAPK2PPARDPPARAKDM4EALDH1A1
SCHEMBL424678 0.81 MAPKAPK2 (0.52) MAPKAPK2KDM4EMEN1KMT2AALPL
SCHEMBL424760 0.81 MAPKAPK2 (0.54) MAPKAPK2PPARDPPARAKDM4EALDH1A1
SCHEMBL428499 0.81 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL430214 0.81 MAPKAPK2 (0.36) MAPKAPK2

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 3 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
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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 480/4885PPARD 2261/4885PPARA 3570/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PPARD 2261/4885PPARA 3570/4885

“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.