SCHEMBL940501

SCHEMBL940501

Oc1nc2nccnc2c(O)c1-c1ncc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
PLAU P00749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRHR1 P34998 1/20 0.31
HPGDS O60760 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
SCN2A Q99250 1/20 0.30

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
SCHEMBL13907015 0.77 KMT2A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12910685 0.76 MEN1 (0.32)
SCHEMBL12910688 0.71 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4166115 0.68 NOTUM (0.31)
SCHEMBL13907002 0.68 PTGES (0.36) ALDH1A1CYP3A4MAPK1HTT
SCHEMBL5811587 0.67 EGLN2 (0.36) ALDH1A1CRHR1
SCHEMBL232870 0.62
SCHEMBL13907016 0.62 KDM4E (0.34) ALDH1A1HSD17B10MAPK1HTT
SCHEMBL13907013 0.62 KDM4E (0.42)
SCHEMBL10824051 0.61 HSP90AA1 (0.38) CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-20130137574-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-05-30 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2254416-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090402-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 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-20130137574-A1 HERBICIDAL COMPOUNDS DDT, CBR3, CBR1 GRIN2D 1437/4885GRIN3B 2453/4885GRIN1 525/4885
US-20110021351-A1 HERBICIDAL COMPOUNDS DDT, CBR3, TH GRIN2D 1575/4885GRIN3B 2801/4885GRIN1 622/4885

“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.