SCHEMBL2591957

SCHEMBL2591957

COc1cc(OC)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 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
SCHEMBL4745055 0.88 MAPT (0.56) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL12776990 0.83 MAPK1 (0.53) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL3913230 0.81 CDC25C (0.49) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL4748364 0.80 MAPT (0.57) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL28825199 0.80 ALDH1A1 (0.46) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL25863237 0.80 ALDH1A1 (0.46) MAPK1MAPTKDM4EKMT2AALDH1A1
SCHEMBL3921406 0.80 ALDH1A1 (0.49) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL31423166 0.80 CYP1A2 (0.49) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL8679011 0.80 MAPK1 (0.49) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL8458580 0.80 MAPT (0.49) MAPK1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 US disclosed
US-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2020-04-30 US disclosed
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 EP disclosed
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2018-05-10 US disclosed
US-9850228-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2017-12-26 US disclosed
EP-3178818-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2017-06-14 EP disclosed
EP-2563775-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-01-04 EP disclosed
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-10-27 US disclosed
US-9464071-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-10-11 US disclosed
CN-104725362-A PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD 2015-06-24 CN disclosed
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-04-16 US disclosed
CN-102858765-B Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD 2015-04-01 CN disclosed
US-8895601-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-11-25 US disclosed
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2013-03-21 US disclosed
EP-2563775-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2013-03-06 EP disclosed
CN-102858765-A Pyrazolyl quinazoline kinase inhibitors ASTEX THERAPEUTICS LTD 2013-01-02 CN disclosed
WO-2011135376-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 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 (6 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-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 MAPK1 290/4885MAPT 1957/4885KDM4E 1300/4885
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 MAPK1 232/4885MAPT 1617/4885KDM4E 1334/4885
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 MAPK1 290/4885MAPT 1957/4885KDM4E 1300/4885
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 MAPK1 290/4885MAPT 1957/4885KDM4E 1300/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 MAPK1 290/4885MAPT 1957/4885KDM4E 1300/4885
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 MAPK1 290/4885MAPT 1957/4885KDM4E 1300/4885

“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.