SCHEMBL428896

SCHEMBL428896

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(Oc4ccc(F)cc4F)nc3)cc1-2)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.37
KDM4E B2RXH2 1/20 0.35
HSPB1 P04792 1/20 0.34
DGAT1 O75907 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
FEN1 P39748 2/20 0.32
ALOX5AP P20292 1/20 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
SCHEMBL424686 0.86 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL431509 0.86 MAPKAPK2 (0.43) MAPKAPK2DGAT1KCNH2
SCHEMBL425060 0.85 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428414 0.85 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL428985 0.85 MAPKAPK2 (0.39) MAPKAPK2DGAT1
SCHEMBL428725 0.84 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL430920 0.83 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL430060 0.83 MAPKAPK2 (0.42) MAPKAPK2KCNH2
SCHEMBL428895 0.82 MAPKAPK2 (0.38) MAPKAPK2KDM4EHSPB1PIM1PIM2
SCHEMBL426738 0.82 MAPKAPK2 (0.38) 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 480/4885KDM4E 1966/4885HSPB1 2348/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885HSPB1 2348/4885

“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.