SCHEMBL426085

SCHEMBL426085

COc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CCC3)c2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.46
CYP11B2 P19099 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALPL P05186 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL429915 0.97 MAPKAPK2 (0.47) MAPKAPK2CYP11B2AKT1AKT2FGFR1
SCHEMBL426415 0.92 MAPKAPK2 (0.57) MAPKAPK2CYP11B2
SCHEMBL424677 0.91 MAPKAPK2 (0.51) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL428741 0.90 MAPKAPK2 (0.40) MAPKAPK2CYP11B2
SCHEMBL428125 0.87 MAPKAPK2 (0.53) MAPKAPK2KDM4EMEN1ALPLCLK1
SCHEMBL430059 0.86 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL430922 0.86 MAPKAPK2 (0.41) MAPKAPK2CYP11B2
SCHEMBL431400 0.86 MAPKAPK2 (0.39) MAPKAPK2CYP11B2CYP11B1
SCHEMBL430553 0.86 MAPKAPK2 (0.39) MAPKAPK2CYP11B2FGFR3CYP11B1
SCHEMBL428271 0.85 MAPKAPK2 (0.39) MAPKAPK2CYP11B2CYP11B1

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 2079/4885AKT1 176/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP11B2 2079/4885AKT1 176/4885

“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.