SCHEMBL429263

SCHEMBL429263

CCOC(=O)c1cccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CC3)c2C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MPL P40238 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
JMJD6 Q6NYC1 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
SCHEMBL424602 0.83 MAPKAPK2 (0.41) MAPKAPK2AKT1AKT2
SCHEMBL428724 0.83 MAPKAPK2 (0.38) MAPKAPK2MAPTMPL
SCHEMBL424661 0.83 MAPKAPK2 (0.40) MAPKAPK2MPL
SCHEMBL431381 0.83 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431561 0.83 JAK2 (0.42) MAPKAPK2NPC1RAB9A
SCHEMBL428984 0.82 MAPKAPK2 (0.38) MAPKAPK2MPL
SCHEMBL428125 0.81 MAPKAPK2 (0.53) MAPKAPK2MPL
SCHEMBL431096 0.81 MPL (0.42) MAPKAPK2MPL
SCHEMBL431508 0.81 MAPKAPK2 (0.42) MAPKAPK2MPL
SCHEMBL430922 0.81 MAPKAPK2 (0.41) MAPKAPK2MPL

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 480/4885LMNA 3998/4885TP53 3240/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885LMNA 3998/4885TP53 3240/4885

“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.