SCHEMBL2049935

SCHEMBL2049935

CCOC(=O)c1c(Cl)c(C)c(=O)n2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.50
PDE3A Q14432 8/20 0.50
MAPK1 P28482 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL696571 0.90 MAPK1 (0.51) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL13857264 0.87 MAPK1 (0.53) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL4342719 0.87 PDE3B (0.48) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL696762 0.85 MAPK1 (0.54) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL2052824 0.81 KDM4E (0.47) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL698276 0.78 MAPK1 (0.56) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL21809613 0.75 ALDH1A1 (0.48) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL21810159 0.75 ALDH1A1 (0.48) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL21843980 0.75 ALDH1A1 (0.48) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL695681 0.75 MAPK1 (0.43) PDE3BPDE3AMAPK1GAAALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US claimed
EP-2227469-B9 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-09-10 EP disclosed
EP-2227469-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-01-08 EP disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
EP-2227469-A1 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-09-15 EP disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO disclosed
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 US disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 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-20090124595-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 PDE3B 1071/4885PDE3A 1069/4885MAPK1 1/4885
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 PDE3B 1543/4885PDE3A 2234/4885MAPK1 5/4885

“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.