SCHEMBL21331983

SCHEMBL21331983

CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(O)cnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 7/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
GPR119 Q8TDV5 9/20 0.44
HPGDS O60760 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
SLC2A1 P11166 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL29611488 0.88 MAPK7 (0.48) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21332047 0.87 MAPK7 (0.64) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21339642 0.84 MAPK7 (0.65) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL29611125 0.82 MAPK7 (0.54) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21339727 0.81 MAPK7 (0.53) MAPK7SLC2A1SIGMAR1
SCHEMBL17398314 0.79 KDM4E (0.48) KDM4EMAPTTHRBGPR119HPGDS
SCHEMBL3568241 0.77 MAPK7 (0.52) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21332138 0.77 MAPK7 (0.62) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL19297216 0.76 GPR119 (0.50) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL12740695 0.76 GPR119 (0.61) KDM4EMAPTTHRBGPR119HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
EP-3762379-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-01-13 EP disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 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 (1 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-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR MAPK15, MAPKAPK5, MAP3K5 MAPK7 22/4885KDM4E 2409/4885MAPT 2919/4885

“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.