SCHEMBL15938665

SCHEMBL15938665

COc1cc(N(CCC(OC(N)=O)C(C)(C)C)C(C)=O)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ACHE P22303 2/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 2/20 0.31
TSPO P30536 1/20 0.31
HTT P42858 1/20 0.31
MET P08581 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL28824480 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4KMT2AACHETSHR
SCHEMBL17102736 0.75 ACHE (0.37) ALDH1A1CYP3A4KMT2AACHETSHR
SCHEMBL15938784 0.74 SMN1; SMN2 (0.48) ALDH1A1CYP3A4KMT2ATSHRHSD17B10
SCHEMBL28044047 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4KMT2AACHETSHR
SCHEMBL17102727 0.73 ACHE (0.36) ALDH1A1CYP3A4KMT2AACHETSHR
SCHEMBL28824484 0.72 MET (0.35) ALDH1A1CYP3A4ACHETSHRHSD17B10
SCHEMBL28824481 0.72 MAPK3 (0.49) MAPTMAPK3
SCHEMBL15938676 0.72 MTNR1A (0.42) ALDH1A1CYP3A4ACHETSHRHSD17B10
SCHEMBL17603300 0.72 MET (0.34) ALDH1A1CYP3A4KMT2AMEN1TSHR
SCHEMBL15938081 0.70 MTNR1A (0.40) ALDH1A1CYP3A4TSHRMAPTTSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 EP disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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 (5 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP3A4 3902/4885KMT2A 2071/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 ALDH1A1 2289/4885CYP3A4 4233/4885KMT2A 3528/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP3A4 3902/4885KMT2A 2071/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP3A4 3902/4885KMT2A 2071/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP3A4 3902/4885KMT2A 2071/4885

“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.