SCHEMBL557225

SCHEMBL557225

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 5/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ERN1 O75460 1/20 0.35
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GALR3 O60755 1/20 0.35
APP P05067 1/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
NFE2L2 Q16236 1/20 0.32
PKM P14618 1/20 0.32
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31

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
SCHEMBL3325221 0.86 MEN1 (0.35) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL1983047 0.83 ALDH1A1 (0.39) GAA
SCHEMBL13857793 0.81 TP53 (0.39) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL2698628 0.78 PTPRC (0.45) KMT2AHTTLMNASMN1; SMN2ALOX5
SCHEMBL1608761 0.77 ALDH1A1 (0.40) MAPK1GAA
SCHEMBL17675264 0.76 ENPP2 (0.33)
SCHEMBL6530180 0.76 MAPT (0.33) MEN1KMT2AHTTMAPTLMNA
SCHEMBL5848074 0.75 SIRT2 (0.41) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL17675421 0.73 MGLL (0.32)
Boric Acid SCHEMBL28225577 0.73 MEN1 (0.41) MEN1KMT2AHTTMAPTMAPK1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 EP disclosed
EP-2419427-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LTD (GB) 2016-04-06 EP disclosed
EP-2197880-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-12-23 EP disclosed
EP-2419428-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2015-05-13 EP disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8859583-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US disclosed
US-8796244-B2 Imidazopyridine derivatives as inhibitors of receptor tyrosine kinases ASTEX THERAPEUTICS LTD (GB) 2014-08-05 US disclosed
US-8722687-B2 Imidazo [1,2-A]pyridine derivatives as FGFR kinase inhibitors for use in therapy ASTEX THERAPEUTICS LTD (GB) 2014-05-13 US disclosed
US-8481531-B2 Bicyclic heterocyclyl derivatives as FGFR kinase inhibitors for therapeutic use ASTEX THERAPEUTICS LTD (GB) 2013-07-09 US disclosed
US-8076354-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-12-13 US disclosed
EP-2300465-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES Astex Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-12-30 US disclosed
WO-2010119285-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2010-10-21 WO disclosed
EP-2197880-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2010-06-23 EP disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
WO-2009150240-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LIMITED (GB) 2009-12-17 WO disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
WO-2009047506-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 WO disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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 (2 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-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 MEN1 1624/4885KMT2A 1320/4885HTT 3116/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 MEN1 2783/4885KMT2A 1003/4885HTT 609/4885

“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.