SCHEMBL429080

SCHEMBL429080

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(N4CCOCC4)nc3)cc1-2)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
ATR Q13535 1/20 0.38
CYP11B2 P19099 1/20 0.37
JAK2 O60674 1/20 0.37
AOC3 Q16853 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL431374 0.92 MAPKAPK2 (0.38) HDAC8ATRJAK2MAPKAPK2HDAC6
SCHEMBL431352 0.89 MAPKAPK2 (0.34) MAPKAPK2
SCHEMBL426540 0.88 ATR (0.41) ATRMAPKAPK2
SCHEMBL429253 0.87 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL430291 0.84 MAPKAPK2 (0.38) ATRMAPKAPK2
SCHEMBL427611 0.83 DGAT1 (0.36) MAPKAPK2
SCHEMBL428237 0.83 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL429124 0.83 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL424662 0.83 MAPKAPK2 (0.39) HDAC8MAPKAPK2
SCHEMBL428414 0.83 MAPKAPK2 (0.47) MAPKAPK2MAPT

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 CNR2 2249/4885HDAC8 1934/4885ATR 820/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CNR2 2249/4885HDAC8 1934/4885ATR 820/4885

“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.