SCHEMBL428672

SCHEMBL428672

COc1ccc(-c2cc3c(cn2)CCc2c(C(=O)O)c(C4(CN)CN(C)C4)n(C)c2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.46
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
AURKA O14965 2/20 0.34
GFER P55789 1/20 0.34
PLK1 P53350 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL431113 0.91 MAPKAPK2 (0.44) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL424875 0.87 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL427137 0.85 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426974 0.85 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL427446 0.84 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426554 0.84 MAPKAPK2 (0.47) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL427797 0.83 MAPKAPK2 (0.59) MAPKAPK2
SCHEMBL428925 0.82 MAPKAPK2 (0.57) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL426045 0.78 MAPKAPK2 (0.41) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL429038 0.78 MAPKAPK2 (0.43) MAPKAPK2MAPT

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 480/4885CCNA2 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.