SCHEMBL425976

SCHEMBL425976

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.43
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
DHODH Q02127 1/20 0.30

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 0.91 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL431130 0.90 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426728 0.89 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL427603 0.89 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL429121 0.88 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431697 0.88 MAPKAPK2 (0.38) MAPKAPK2DHODH
SCHEMBL426775 0.88 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426978 0.87 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL430274 0.86 CNR2 (0.36) MAPKAPK2
SCHEMBL427356 0.86 MAPKAPK2 (0.39) MAPKAPK2MAPTDHODH

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 480/4885GSK3B 402/4885DYRK1A 1673/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885GSK3B 402/4885DYRK1A 1673/4885

“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.