SCHEMBL10073931

SCHEMBL10073931

N#Cc1ccccc1Oc1cc(Oc2ccccc2N)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
DCK P27707 2/20 0.45
GAA P10253 3/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
RCE1 Q9Y256 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
TLR4 O00206 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL24507690 0.91 MAP4K4 (0.56) MAP4K4DCKGAAPOLBACHE
SCHEMBL26714156 0.84 POLB (0.54) MAP4K4DCKGAAPOLBACHE
SCHEMBL7586510 0.82 AR (0.52) MAP4K4DCKGAAPOLBACHE
SCHEMBL7586504 0.82 MAP4K4 (0.49) MAP4K4DCKGAAPOLBACHE
SCHEMBL9131619 0.82 GAA (0.53) MAP4K4GAAPOLBRCE1CYP1A2
SCHEMBL7173106 0.81 MAP4K4 (0.50) MAP4K4DCKGAAPOLBACHE
SCHEMBL29390597 0.81 MAP4K4 (0.50) MAP4K4DCKGAAPOLBACHE
SCHEMBL30449029 0.81 MAP4K4 (0.50) MAP4K4DCKGAAPOLBACHE
SCHEMBL7173109 0.81 MAP4K4 (0.50) MAP4K4DCKGAAPOLBACHE
SCHEMBL16202033 0.81 MAP4K4 (0.50) MAP4K4DCKGAAPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076498-B1 PREPARATION OF AZOXYSTROBIN SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-8552185-B2 Preparation of azoxystrobin SYNGENTA LIMITED (GB) 2013-10-08 US disclosed
EP-1891020-B1 PROCESSES FOR THE PREPARATION OF AZOXYSTROBIN USING DABCO AS A CATALYST AND NOVEL INTERMEDIATES USED IN THE PROCESSES SYNGENTA LTD (GB) 2013-06-05 EP disclosed
US-8124761-B2 Coupling of methyl (E)-2-{2-[6-chloropyrimidin-4-yloxy]phenyl}-3-methoxyacrylate with 2-cyanophenyl in DMF with 2 mol % DABCO; significantly smaller amounts of this relatively expensive catalyst may be used without compromising the yield SYNGENTA LIMITED (GB) 2012-02-28 US disclosed
US-20100036124-A1 PREPARATION OF AZOXYSTROBIN SYNGENTA LIMITED (GB) 2010-02-11 US disclosed
US-20080214587-A1 Processes For the Preparation of Azoxystrobin Using Dabco as a Catalyst and Novel Intermediates Used in the Processes SYNGENTA CROP PROTECTION, INC. (US) 2008-09-04 US disclosed
WO-2008043978-A1 PREPARATION OF AZOXYSTROBIN SYNGENTA LIMITED (GB) 2008-04-17 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-20100036124-A1 PREPARATION OF AZOXYSTROBIN CYP51A1, CYP1B1, CYP2D6 MAP4K4 3132/4885DCK 2716/4885GAA 642/4885
US-20080214587-A1 Processes For the Preparation of Azoxystrobin Using Dabco as a Catalyst and Novel Intermediates Used in the Processes DDT, AOC3, DAO MAP4K4 786/4885DCK 281/4885GAA 2577/4885

“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.