SCHEMBL425040

SCHEMBL425040

CC(C)(C)OC(=O)N1CC(CN)(c2oc3c(c2C(=O)O)CCc2cnc(Cl)cc2-3)C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
NR1H2 P55055 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
MTOR P42345 1/20 0.30
ESR2 Q92731 1/20 0.30
SCD5 Q86SK9 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
SCHEMBL427288 0.85 NAMPT (0.32) NAMPTADORA1PIK3R1PIK3CACCNA2
SCHEMBL431309 0.85 MAPKAPK2 (0.48)
SCHEMBL424876 0.83 NR1H2 (0.34) NAMPTADORA1PIK3R1PIK3CACCNA2
SCHEMBL1908891 0.77 MAPKAPK2 (0.52) NR1H2
SCHEMBL431760 0.76 NR1H2 (0.32) NAMPTADORA1CCNA2CDK2NR1H2
SCHEMBL427206 0.75 ADORA1 (0.31) NAMPTADORA1CCNA2CDK2
SCHEMBL1908890 0.73 MAPKAPK2 (0.35) NR1H2
SCHEMBL428945 0.73 MAPKAPK2 (0.34) NAMPTADORA1PIK3R1PIK3CANR1H2
SCHEMBL431638 0.72 JAK2 (0.33) NAMPTPIK3R1PIK3CACCNA2CDK2
SCHEMBL427289 0.72

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 5 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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO 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 NAMPT 2578/4885ADORA1 3248/4885PIK3R1 474/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 NAMPT 2578/4885ADORA1 3248/4885PIK3R1 474/4885

“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.