SCHEMBL428957

SCHEMBL428957

CN1CCN(Cc2ccc(-c3cc4c(cn3)CCc3c-4[nH]c(CC4(N)CCC4)c3C(=O)O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.38
MAPKAPK2 P49137 8/20 0.37
PARP1 P09874 2/20 0.36
TNIK Q9UKE5 2/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
F10 P00742 1/20 0.34
JAK2 O60674 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL429669 0.91 CHEK1 (0.38) MAPKAPK2PARP1
SCHEMBL426031 0.85 CHEK1 (0.40) MAPKAPK2HDAC1
SCHEMBL426049 0.85 CHEK1 (0.39) MAPKAPK2F10
SCHEMBL424677 0.84 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL427333 0.83 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429718 0.83 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431329 0.82 MAPKAPK2 (0.50) MAPKAPK2
SCHEMBL427353 0.81 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL430059 0.81 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL429140 0.81 MAPKAPK2 (0.59) MAPKAPK2LCKFLT3JAK2HDAC1

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 MAP3K11 557/4885MAPKAPK2 480/4885PARP1 1748/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAP3K11 557/4885MAPKAPK2 480/4885PARP1 1748/4885

“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.