SCHEMBL426728

SCHEMBL426728

COc1ccc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CNC4)n(C)c2-3)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.37
KCNH2 Q12809 3/20 0.35
CD274 Q9NZQ7 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
FYN P06241 1/20 0.33
PIK3CA P42336 1/20 0.32
PDE5A O76074 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
SCHEMBL426775 0.91 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL430862 0.91 MAPKAPK2 (0.37) MAPKAPK2KCNH2CD274FYNPIK3CA
SCHEMBL427356 0.90 MAPKAPK2 (0.39) MAPKAPK2FYNPIK3CA
SCHEMBL431103 0.89 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL428226 0.89 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL425976 0.89 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL427603 0.87 MAPKAPK2 (0.36) MAPKAPK2PRKAG1PRKAA1PRKAB1
SCHEMBL429121 0.87 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426869 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431130 0.85 MAPKAPK2 (0.44) MAPKAPK2FYN

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 1183/4885CD274 2330/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KCNH2 1183/4885CD274 2330/4885

“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.