SCHEMBL2800744

SCHEMBL2800744

Fc1cc(Br)cc(F)c1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 6/20 0.51
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
CXCR4 P61073 1/20 0.40
GRIN2B Q13224 1/20 0.39
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL18340154 0.85 CYP2A13 (0.43) CYP2A13KMT2AALDH1A1MEN1HSD17B10
SCHEMBL3400377 0.84 CYP2A13 (0.49) CYP2A13KMT2AALDH1A1MEN1HSD17B10
SCHEMBL2106701 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1HSD17B10HRH3
SCHEMBL13746519 0.82 CYP2A13 (0.51) CYP2A13KMT2AALDH1A1MEN1HSD17B10
SCHEMBL20465105 0.82 CYP2A13 (0.51) CYP2A13KMT2AALDH1A1MEN1HSD17B10
SCHEMBL1427472 0.81 ALDH1A1 (0.49) KMT2AALDH1A1MEN1HSD17B10HRH3
SCHEMBL4289837 0.79 CHKA (0.55) ALDH1A1MAPTKDM4ETSHR
SCHEMBL4048591 0.79 KDM4E (0.55) CYP2A13KMT2AALDH1A1MEN1KDM4E
SCHEMBL3397376 0.79 GFER (0.51) KMT2AALDH1A1MEN1CYP2C9MAPT
SCHEMBL1930020 0.78 CYP2A13 (0.61) CYP2A13ALDH1A1HSD17B10CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836483-B1 ANTI-MALARIAL AGENTS MERCK PATENT GMBH (DE) 2016-07-27 EP disclosed
EP-2836483-B1 ANTI-MALARIAL AGENTS MERCK PATENT GMBH (DE) 2016-07-27 EP disclosed
CN-104302624-B Antimalarial agent MERCK PATENT GMBH (DE) 2016-01-13 CN disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
EP-2836483-A1 ANTI-MALARIAL AGENTS University Of Dundee (GB) 2015-02-18 EP disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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 (3 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 CYP2A13 2329/4885KMT2A 813/4885ALDH1A1 3217/4885
US-20150045354-A1 Anti-Malarial Agents PRMT7, MRPS7, RAB7A CYP2A13 1532/4885KMT2A 2494/4885ALDH1A1 2166/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CYP2A13 770/4885KMT2A 1885/4885ALDH1A1 1389/4885

“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.