SCHEMBL263076

SCHEMBL263076

COC(=O)c1cc(F)[c]c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
KDM4E B2RXH2 3/20 0.52
XDH P47989 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.47

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
SCHEMBL3087882 0.88 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL147169 0.78 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL521670 0.77 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL1401499 0.77 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL422919 0.76 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL1096952 0.76 KDM4E (0.59) CA1CA2CA12CA7CA9
SCHEMBL4200023 0.76 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL131423 0.76 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL3415238 0.75 ATM (0.47) CA1CA2CA12CA7CA9
SCHEMBL17023445 0.75 CA5A (0.48) LMNAL3MBTL1GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057154-B1 PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2012-11-14 EP disclosed
US-8133847-B2 Pyrido[2,3-B]pyrazine derivatives useful as herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
US-20090305892-A1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-12-10 US disclosed
EP-2057154-A1 PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2009-05-13 EP disclosed
WO-2008009908-A1 PYRIDO [2, 3-B] PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2008-01-24 WO disclosed
US-20070197389-A1 Azolopyrimidine compounds and use thereof for combating parasitic fungi BASF AKTIENGESELLSCHAFT (DE) 2007-08-23 US disclosed
EP-1720879-A2 AZOLOPYRIMIDINE COMPOUNDS AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-11-15 EP disclosed
WO-2005080396-A2 AZOLOPYRIMIDINE COMPOUNDS AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-09-01 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-20070197389-A1 Azolopyrimidine compounds and use thereof for combating parasitic fungi G6PD, XDH, TPI1 CA1 941/4885CA2 352/4885CA12 1265/4885
US-20090305892-A1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS PNPO, CBR3, CBR1 CA1 3465/4885CA2 1211/4885CA12 4705/4885

“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.