SCHEMBL427194

SCHEMBL427194

CCOC1=CCCc2cnc(-c3ccc(N4CCOCC4)c(Cl)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
MTOR P42345 5/20 0.36
CNR2 P34972 1/20 0.36
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
TLR9 Q9NR96 1/20 0.36
MAPT P10636 1/20 0.36
HCAR1 Q9BXC0 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
GAK O14976 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 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
SCHEMBL431908 0.76 ALDH3A1 (0.40) GRM2ALDH1A1HPGDCNR2SMN1; SMN2
SCHEMBL874518 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL427162 0.73 SYK (0.37) GRM2ALDH1A1HPGDCNR2SMN1; SMN2
SCHEMBL24386071 0.64 MPO (0.31) ALDH1A1MAPT
SCHEMBL4492340 0.61 MAPT (0.60) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL25082161 0.61 NCF1 (0.55) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL8868181 0.60 CDC7 (0.52) ALDH1A1HPGDDYRK1AGAAMAPT
SCHEMBL2148489 0.59 MTOR (0.66) MTOR
SCHEMBL2153196 0.58 MTOR (0.57) ALDH1A1HPGDHIF1AMTOR
SCHEMBL16440175 0.58 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2GAAMAPT

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 GRM2 1543/4885ALDH1A1 3295/4885HPGD 779/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 GRM2 1543/4885ALDH1A1 3295/4885HPGD 779/4885

“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.