SCHEMBL426974

SCHEMBL426974

CN1CC(CN)(c2c(C(=O)O)c3c(n2C)-c2cc(-c4ccc(C(F)(F)F)nc4)ncc2CC3)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.38
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 4/20 0.34
TRPA1 O75762 2/20 0.32
MAP4K4 O95819 1/20 0.32
PIK3CA P42336 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
PI4KB Q9UBF8 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
SCHEMBL429963 0.91 MAPKAPK2 (0.40) MAPKAPK2KCNH2MCHR1
SCHEMBL424875 0.89 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL428672 0.85 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL427137 0.84 MAPKAPK2 (0.36) MAPKAPK2PIK3CA
SCHEMBL424739 0.84 MAPKAPK2 (0.47) MAPKAPK2KCNH2MAP4K4PIK3CAMINK1
SCHEMBL427446 0.83 MAPKAPK2 (0.39) MAPKAPK2MAP4K4
SCHEMBL428925 0.83 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL429038 0.80 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL431113 0.76 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426871 0.76 MAPKAPK2 (0.38) MAPKAPK2PIK3CA

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 480/4885KCNH2 1183/4885MCHR1 4087/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KCNH2 1183/4885MCHR1 4087/4885

“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.