SCHEMBL431908

SCHEMBL431908

O=C1CCCc2cnc(-c3ccc(N4CCOCC4)c(Cl)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
CNR2 P34972 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
SYK P43405 2/20 0.37
KDR P35968 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GRM2 Q14416 1/20 0.36
KMO O15229 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
AKT1 P31749 1/20 0.35

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
SCHEMBL427162 0.82 SYK (0.37) ALDH3A1ALDH1A3CNR2SMN1; SMN2MAPT
SCHEMBL427194 0.76 GRM2 (0.39) CNR2SMN1; SMN2MAPTGAAKDM1A
SCHEMBL1909525 0.73 MAPKAPK2 (0.63)
SCHEMBL1908935 0.73 MAPKAPK2 (0.57) SMN1; SMN2GAASYKALDH1A1NPC1
SCHEMBL13957108 0.70 KDM4E (0.34) SMN1; SMN2MAPTMEN1KMT2AHDAC1
SCHEMBL874744 0.70 KMT2A (0.47) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL430203 0.68 ALDH1A1 (0.41) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL426427 0.67 MAPKAPK2 (0.52) MAPTGAAMEN1KMT2AHTT
SCHEMBL10955592 0.65 PDE3B (0.52) ALDH3A1ALDH1A3SMN1; SMN2MAPTGAA
SCHEMBL30777930 0.65 MAOA (0.33) SMN1; SMN2MEN1KMT2AMAPK1L3MBTL1

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 12 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-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
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-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-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
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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
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 ALDH3A1 3393/4885ALDH1A3 4045/4885CNR2 2249/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH3A1 3393/4885ALDH1A3 4045/4885CNR2 2249/4885

“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.