SCHEMBL425586

SCHEMBL425586

CCOC1=CCCc2cnc(-c3ccc(OC)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.44
EGFR P00533 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK4 Q9HAZ1 2/20 0.37
MPO P05164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 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
SCHEMBL430342 0.79 MAPKAPK2 (0.51) MAPKAPK2KDM4ELMNAALDH1A1NPC1
SCHEMBL24386071 0.78 MPO (0.31) MAPTKDM4EALDH1A1MPOHTT
SCHEMBL426427 0.72 MAPKAPK2 (0.52) MAPKAPK2EGFRMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8565531 0.71 KDM4E (0.66) MAPKAPK2EGFRMAPTKDM4EALDH1A1
SCHEMBL13028979 0.69 CLK4 (0.58) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL426445 0.68 MAPKAPK2 (0.48) MAPKAPK2EGFRMAPTKDM4EALDH1A1
SCHEMBL13028977 0.66 CLK4 (0.53) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL11189646 0.66 HRH2 (0.38) MAPKAPK2EGFRMAPTNPC1CLK4
SCHEMBL11183920 0.64 HRH2 (0.37) MAPKAPK2MAPTKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL7513962 0.63 ALDH1A1 (0.62) MAPKAPK2EGFRMAPTKDM4ELMNA

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 MAPKAPK2 480/4885EGFR 675/4885MAPT 3072/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885EGFR 675/4885MAPT 3072/4885

“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.