SCHEMBL2467441

SCHEMBL2467441

CCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL28378952 0.91 CYP2D6 (0.47) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL4503126 0.86 KMT2A (0.62) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL13118614 0.82 LMNA (0.65) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL23569533 0.81 LMNA (0.64) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL20608072 0.81 LMNA (0.64) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL4506781 0.81 KDM4E (0.76) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL28551155 0.81 LMNA (0.64) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL744071 0.80 LMNA (0.62) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL31019937 0.80 LMNA (0.62) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL15353093 0.80 LMNA (0.65) KDM4EGAAKMT2AMEN1L3MBTL1

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-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (3 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 KDM4E 919/4885GAA 3808/4885KMT2A 1891/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 KDM4E 1169/4885GAA 4009/4885KMT2A 1822/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 KDM4E 1169/4885GAA 4009/4885KMT2A 1822/4885

“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.