SCHEMBL5164937

SCHEMBL5164937

CN(C)CCOc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
GAA P10253 1/20 0.64
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR7 P34969 1/20 0.45
MAPT P10636 2/20 0.44
S1PR4 O95977 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
PRSS1 P07477 3/20 0.44
HPGD P15428 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
SCHEMBL1987035 0.89 KDM4E (0.54) KDM4EGAATHRATHRBCHRNB2
SCHEMBL24900759 0.83 KDM4E (0.64) KDM4EGAATHRATHRBCHRNB2
SCHEMBL30957483 0.83 KDM4E (0.64) KDM4EGAATHRATHRBCHRNB2
SCHEMBL15005868 0.83 KDM4E (0.64) KDM4EGAATHRATHRBCHRNB2
SCHEMBL19174928 0.82 ALDH1A1 (0.52) KDM4EALDH1A1LMNAMAPTS1PR4
SCHEMBL30935123 0.82 ALDH1A1 (0.52) KDM4EALDH1A1LMNAMAPTS1PR4
SCHEMBL6029803 0.82 MAPT (0.55) THRATHRBALDH1A1LMNAMAPT
SCHEMBL12952913 0.81 MAPT (0.55) GAATHRATHRBALDH1A1LMNA
SCHEMBL15854534 0.81 PRSS1 (0.50) KDM4EGAAALDH1A1LMNATDP1
SCHEMBL28043350 0.81 NPC1 (0.47) KDM4EGAAALDH1A1LMNATDP1

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 14 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
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 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
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
EP-2867233-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2015-05-06 EP 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
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 WO disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 EP disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 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 (4 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 KDM4E 1468/4885GAA 2587/4885THRA 4350/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 KDM4E 1468/4885GAA 2587/4885THRA 4350/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 KDM4E 1468/4885GAA 2587/4885THRA 4350/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 KDM4E 1504/4885GAA 1555/4885THRA 1783/4885

“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.