SCHEMBL426869

SCHEMBL426869

COc1cncc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CNC4)n(C)c2-3)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.39
CYP11B2 P19099 6/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL428226 0.93 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426775 0.90 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426728 0.86 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL426978 0.86 MAPKAPK2 (0.40) MAPKAPK2CYP11B2CYP11B1
SCHEMBL429121 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431697 0.86 MAPKAPK2 (0.38) MAPKAPK2CYP11B2CYP11B1
SCHEMBL427356 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428966 0.85 MAPKAPK2 (0.46) MAPKAPK2CYP11B2CYP11B1
SCHEMBL431103 0.84 MAPKAPK2 (0.37) MAPKAPK2CYP11B2
SCHEMBL425976 0.83 MAPKAPK2 (0.43) MAPKAPK2GSK3BDYRK1A

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 480/4885CYP11B2 2079/4885FGFR1 1642/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP11B2 2079/4885FGFR1 1642/4885

“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.