SCHEMBL1024222

SCHEMBL1024222

O=C(O)Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.68
CXCR1 P25024 2/20 0.68
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
PABPC1 P11940 1/20 0.66
DUSP3 P51452 1/20 0.66
PTPN5 P54829 1/20 0.66
PTPN11 Q06124 1/20 0.66
EIF4H Q15056 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
RAB9A P51151 2/20 0.64
KCNMA1 Q12791 1/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 5/20 0.62
GAA P10253 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL1024223 1.00 CXCR2 (0.68) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL915213 0.85 MEN1 (0.64) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL4320209 0.83 HTT (0.68) MEN1KMT2ACTDSP1MAPTALDH1A1
SCHEMBL4320215 0.83 HTT (0.68) MEN1KMT2ACTDSP1MAPTALDH1A1
SCHEMBL9311420 0.82 CXCR2 (0.59) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL11874002 0.82 CXCR1 (0.68) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL5595042 0.82 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL2852168 0.81 KMT2A (0.69) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL2230525 0.81 KMT2A (0.52) CXCR2CXCR1MEN1KMT2APABPC1
SCHEMBL2230530 0.81 KMT2A (0.52) CXCR2CXCR1MEN1KMT2APABPC1

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 18 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-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 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-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2015-12-31 US disclosed
EP-2935226-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-10-28 EP disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (8 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CXCR2 1254/4885CXCR1 1279/4885MEN1 1321/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CXCR2 858/4885CXCR1 3426/4885MEN1 2025/4885
US-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CXCR2 449/4885CXCR1 2143/4885MEN1 606/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 CXCR2 858/4885CXCR1 3426/4885MEN1 2025/4885
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CXCR2 449/4885CXCR1 2143/4885MEN1 606/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CXCR2 449/4885CXCR1 2143/4885MEN1 606/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CXCR2 858/4885CXCR1 3426/4885MEN1 2025/4885
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CXCR2 449/4885CXCR1 2143/4885MEN1 606/4885

“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.