SCHEMBL430274

SCHEMBL430274

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1cc(-c3ccc(N4CCCCC4)nc3)ncc1CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
MAPKAPK2 P49137 5/20 0.34
FYN P06241 4/20 0.33
SCN9A Q15858 1/20 0.32
DGAT1 O75907 2/20 0.32
KCNH2 Q12809 2/20 0.32
CNR1 P21554 1/20 0.32
AOC3 Q16853 1/20 0.31
METAP2 P50579 1/20 0.31
PIK3CA P42336 1/20 0.31
RET P07949 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
SCHEMBL431103 0.87 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL425976 0.86 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL427603 0.85 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426728 0.85 MAPKAPK2 (0.37) MAPKAPK2FYNKCNH2PIK3CA
SCHEMBL429121 0.85 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426775 0.84 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426978 0.83 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL427356 0.83 MAPKAPK2 (0.39) MAPKAPK2FYNPIK3CA
SCHEMBL430408 0.82 KDM4E (0.36) MAPKAPK2
SCHEMBL428226 0.82 MAPKAPK2 (0.36) 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 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 CNR2 2249/4885MAPKAPK2 480/4885FYN 1933/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CNR2 2249/4885MAPKAPK2 480/4885FYN 1933/4885

“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.