SCHEMBL427596

SCHEMBL427596

COc1cccc(-c2ncc3c(n2)-c2[nH]c(CC4(N)CN(C(=O)OC(C)(C)C)C4)c(C(=O)O)c2CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.39
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
ROCK2 O75116 5/20 0.35
DGAT2 Q96PD7 2/20 0.35
HPGDS O60760 2/20 0.34
AURKA O14965 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PLK1 P53350 1/20 0.34
MGAT2 Q10469 1/20 0.34

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
SCHEMBL431338 0.92 MAPKAPK2 (0.47) MAPKAPK2CCNA2CDK2CCNA1HPGDS
SCHEMBL431552 0.92 MAPKAPK2 (0.47) MAPKAPK2HPGDSUSP30
SCHEMBL430449 0.86 CCNA2 (0.39) MAPKAPK2CCNA2CDK2CCNA1ROCK2
SCHEMBL428481 0.86 MAPKAPK2 (0.43) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL429694 0.81 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL430036 0.79 MAPKAPK2 (0.58) MAPKAPK2
SCHEMBL427483 0.79 MAPKAPK2 (0.51) MAPKAPK2HPGDSUSP30
SCHEMBL424760 0.79 MAPKAPK2 (0.54) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL426556 0.79 MAPKAPK2 (0.46) MAPKAPK2HPGDS
SCHEMBL1909227 0.78 MAPKAPK2 (0.61) 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 480/4885CCNA2 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.