SCHEMBL426351

SCHEMBL426351

O=C1NCCc2oc3c(c21)CCc1cnccc1-3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.41
MAPKAPK2 P49137 7/20 0.38
BUB1 O43683 1/20 0.34
PARP10 Q53GL7 3/20 0.34
PARP11 Q9NR21 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PKN2 Q16513 2/20 0.32
PKN1 Q16512 1/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
RIPK3 Q9Y572 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
SCHEMBL31529937 0.73 MAPKAPK2 (0.60) CDC7MAPKAPK2BUB1
SCHEMBL31529936 0.73 MAPKAPK2 (0.60) CDC7MAPKAPK2BUB1
SCHEMBL792914 0.72 PARP10 (0.58) CDC7MAPKAPK2PARP10PARP11CHRNB2
SCHEMBL9746621 0.68 CDC7 (0.35) CDC7MAPKAPK2CHRNB2CHRNA4PKN2
SCHEMBL15813775 0.67 CDC7 (0.48) CDC7MAPKAPK2PARP10PARP11CHRNB2
SCHEMBL4323285 0.63 CYP1A2 (0.53) CHRNB2CHRNA4
SCHEMBL29792666 0.63 CYP1A2 (0.53) CHRNB2CHRNA4
SCHEMBL460089 0.63 CDC7 (0.39) CDC7PARP10PARP11CHRNB2CHRNA4
SCHEMBL9746424 0.63 SIGMAR1 (0.40) CDC7BUB1CHRNB2CHRNA4PKN2
SCHEMBL793402 0.63 PARP10 (0.58) CDC7MAPKAPK2PARP10PARP11CHRNB2

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 CDC7 977/4885MAPKAPK2 480/4885BUB1 1099/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CDC7 977/4885MAPKAPK2 480/4885BUB1 1099/4885

“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.