SCHEMBL16095953

SCHEMBL16095953

CN(C)C(=O)c1ccc(Br)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
DGAT1 O75907 1/20 0.42
CES2 O00748 1/20 0.41
GALR3 O60755 1/20 0.41
PLAU P00749 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CFTR P13569 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP2C9 P11712 2/20 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
SCHEMBL1516638 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EGLALMNAMAPT
SCHEMBL29897622 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EGLALMNAMAPT
SCHEMBL2763341 0.80 POLB (0.50) ALDH1A1KDM4EGLALMNAMAPT
SCHEMBL3488897 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EGLALMNAMAPT
SCHEMBL1004845 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL132169 0.79 ALDH1A1 (0.61) ALDH1A1LMNAMAPTDGAT1CES2
SCHEMBL1189192 0.79 KDM4E (0.52) ALDH1A1KDM4EGLAMAPTPOLB
SCHEMBL4500590 0.78 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAMAPTCES2
SCHEMBL646187 0.78 DGAT1 (0.59) ALDH1A1LMNAMAPTDGAT1CES2
SCHEMBL3814770 0.78 ABL1 (0.59) ALDH1A1KDM4EMAPTNPC1MAPK1

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 8 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
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 ALDH1A1 4078/4885KDM4E 1468/4885GLA 2120/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 ALDH1A1 4078/4885KDM4E 1468/4885GLA 2120/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 ALDH1A1 4078/4885KDM4E 1468/4885GLA 2120/4885

“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.