SCHEMBL431509

SCHEMBL431509

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CC3)c2C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.43
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
KCNH2 Q12809 2/20 0.35
DGAT1 O75907 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
SCHEMBL430060 0.97 MAPKAPK2 (0.42) MAPKAPK2MKNK1MKNK2HDAC8PRKAG1
SCHEMBL425060 0.92 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428725 0.92 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL428126 0.90 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL426738 0.89 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL424662 0.89 MAPKAPK2 (0.39) MAPKAPK2HDAC8
SCHEMBL424678 0.87 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL427611 0.87 DGAT1 (0.36) MAPKAPK2KCNH2DGAT1
SCHEMBL428414 0.87 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL424686 0.87 MAPKAPK2 (0.41) 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 480/4885MKNK1 187/4885MKNK2 47/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MKNK1 187/4885MKNK2 47/4885

“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.