SCHEMBL2066975

SCHEMBL2066975

CC(C)(C)OC(=O)NCc1cncc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
NAMPT P43490 2/20 0.40
CYP3A4 P08684 3/20 0.39
KDM4A O75164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLS O94925 2/20 0.34
HDAC1 Q13547 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HPN P05981 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL13858800 0.84 DYRK1A (0.47) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL29953747 0.84 DYRK1A (0.47) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL16397294 0.83 GLS (0.44) NAMPTCYP3A4KDM4AL3MBTL1GLS
SCHEMBL3861990 0.78 CYP11B1 (0.33)
SCHEMBL2725648 0.77 KDM4A (0.37) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL2068547 0.75 CYP11B1 (0.35)
SCHEMBL24139848 0.75 DYRK1A (0.50) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL16020299 0.75 DYRK1A (0.50) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL13999418 0.74 DYRK1A (0.49) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1
SCHEMBL10264054 0.74 DYRK1A (0.49) DYRK1ANAMPTCYP3A4KDM4AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-9284334-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2016-03-15 US disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
EP-2710018-A2 NEW COMPOUNDS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2014-03-26 EP disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 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-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 DYRK1A 860/4885NAMPT 3710/4885CYP3A4 1813/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 DYRK1A 860/4885NAMPT 3710/4885CYP3A4 1813/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 DYRK1A 585/4885NAMPT 2450/4885CYP3A4 1999/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 DYRK1A 585/4885NAMPT 2450/4885CYP3A4 1999/4885

“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.