SCHEMBL2468808

SCHEMBL2468808

COC(=O)C1(CN(C)C)CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 3/20 0.45
OPRM1 P35372 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL19779408 0.86 KMT2A (0.53) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1961694 0.85 KMT2A (0.52) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2470923 0.85 CYP2D6 (0.54) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15367649 0.84 KMT2A (0.53) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14517088 0.84 CYP2D6 (0.50) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18203100 0.81 L3MBTL1 (0.63) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21287577 0.81 KMT2A (0.57) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2470540 0.80 CYP2D6 (0.47) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL26667101 0.80 MEN1 (0.54) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17042553 0.79 CYP2D6 (0.55) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1

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-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-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP 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
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
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 CYP2D6 720/4885ALDH1A1 277/4885MEN1 2093/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP2D6 862/4885ALDH1A1 342/4885MEN1 1940/4885

“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.