SCHEMBL15938784

SCHEMBL15938784

CCN(C(C)=O)c1ccc(N)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MCHR1 Q99705 1/20 0.40
TSPO P30536 1/20 0.40
MAPK3 P27361 2/20 0.39
QPCT Q16769 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL28044047 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL15938676 0.80 MTNR1A (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL17102736 0.78 ACHE (0.37) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL15938081 0.78 MTNR1A (0.40) ALDH1A1CYP3A4TSHRTSPOMAPK3
SCHEMBL8014237 0.77 S100B (0.59) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL15984777 0.77 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1TSHRHSD17B10HTT
SCHEMBL9135996 0.76 TDP1 (0.44) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL17102727 0.76 ACHE (0.36) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL28824481 0.75 MAPK3 (0.49) MAPK3

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 SMN1; SMN2 4304/4885ALDH1A1 2838/4885CYP3A4 3902/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 SMN1; SMN2 3812/4885ALDH1A1 2289/4885CYP3A4 4233/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 SMN1; SMN2 4304/4885ALDH1A1 2838/4885CYP3A4 3902/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 SMN1; SMN2 4304/4885ALDH1A1 2838/4885CYP3A4 3902/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 SMN1; SMN2 4304/4885ALDH1A1 2838/4885CYP3A4 3902/4885

“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.