SCHEMBL4216730

SCHEMBL4216730

CCCOC1(C(=O)O)CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.57
MAPK3 P27361 2/20 0.48
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MAPK6 Q16659 1/20 0.41

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
SCHEMBL3155460 0.90 MAPK1 (0.63) MAPK1MAPK3ALDH1A1MAPT
SCHEMBL4220089 0.81 MAPK1 (0.51) MAPK1MAPK3ALDH1A1MAPTMAP2K2
SCHEMBL2466579 0.81 MAPK1 (0.64) MAPK1MAPK3ALDH1A1MAPTMAP2K2
SCHEMBL2471086 0.80 MAPK1 (0.52) MAPK1MAPK3ALDH1A1MAPTMAP2K2
SCHEMBL2468669 0.79 MAPK1 (0.91) MAPK1MAPK3
SCHEMBL4231255 0.79 MAPK1 (0.52) MAPK1MAPK3ALDH1A1MAPTMAP2K2
SCHEMBL4213861 0.79 MAPK1 (0.51) MAPK1MAPK3ALDH1A1MAPTMAP2K2
SCHEMBL2471090 0.76 MAPK1 (0.63) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL3153368 0.76 MAPK1 (0.55) MAPK1MAPK3ALDH1A1MAPT
SCHEMBL3155813 0.76 MAPK1 (0.55) MAPK1MAPK3ALDH1A1MAPT

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 5 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-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP 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 MAPK1 1/4885MAPK3 6/4885ALDH1A1 277/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 MAPK1 1/4885MAPK3 7/4885ALDH1A1 342/4885

“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.