SCHEMBL16095937

SCHEMBL16095937

CC(C)(C)OC(=O)N1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
USP30 Q70CQ3 1/20 0.43
HTR6 P50406 1/20 0.42
JAK1 P23458 1/20 0.42
GRM1 Q13255 8/20 0.41
GRM5 P41594 7/20 0.41
CNR1 P21554 2/20 0.41
NAMPT P43490 1/20 0.41
BTK Q06187 1/20 0.40
SCN9A Q15858 1/20 0.40
NR1H2 P55055 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL31222969 0.89 PDK4 (0.48) PDK4USP30HTR6JAK1GRM1
SCHEMBL15557171 0.89 PDK4 (0.48) PDK4USP30HTR6JAK1GRM1
SCHEMBL31223065 0.88 PDK4 (0.47) PDK4USP30HTR6JAK1GRM1
SCHEMBL34466139 0.87 PDK4 (0.46) PDK4USP30HTR6JAK1GRM1
SCHEMBL12779997 0.85 NAMPT (0.53) PDK4USP30HTR6GRM1GRM5
SCHEMBL15599416 0.84 PDK4 (0.46) PDK4USP30HTR6JAK1GRM1
SCHEMBL18621685 0.82 PDK4 (0.49) PDK4USP30HTR6GRM1GRM5
SCHEMBL31166100 0.80 USP30 (0.54) PDK4USP30GRM1GRM5NAMPT
SCHEMBL15599450 0.80 USP30 (0.54) PDK4USP30GRM1GRM5NAMPT
SCHEMBL31443630 0.79 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (3 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 PDK4 576/4885USP30 2797/4885HTR6 3475/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 PDK4 576/4885USP30 2797/4885HTR6 3475/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 PDK4 576/4885USP30 2797/4885HTR6 3475/4885

“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.